Volume 52
Main Index

Issue 01

Editorial: A Change of the Guard William B. Tolman pp 1–2   DOI: 10.1021/ic3026073

Novel Iron(II) Microporous Spin-Crossover Coordination Polymers with Enhanced Pore Size Francisco J. Muñoz-Lara, Ana B. Gaspar, M. Carmen Muñoz, Vadim Ksenofontov, and José Antonio Real pp 3–5   DOI: 10.1021/ic301639r   Supporting Info

A Series of Lanthanide-Based Cluster Organic Frameworks Made of Heptanuclear Trigonal-Prismatic Cluster Units Wei-Hui Fang, Lin Cheng, Ling Huang, and Guo-Yu Yang pp 6–8   DOI: 10.1021/ic301963v   Supporting Info

New Facile Method for the Preparation of M3B7O13I Boracites (M = Mn, Fe, Co, Ni, Cd) Xiu-Li Wang, Yi-Zhi Huang, and Li-Ming Wu pp 9–11   DOI: 10.1021/ic302018g   Supporting Info

Two-Dimensional Copper(I) Coordination Polymer Materials as Photocatalysts for the Degradation of Organic Dyes Tian Wen, De-Xiang Zhang, and Jian Zhang pp 12–14   DOI: 10.1021/ic302273h   Supporting Info

Selectivity of the Highly Preorganized Tetradentate Ligand 2,9-Di(pyrid-2-yl)-1,10-phenanthroline for Metal Ions in Aqueous Solution, Including Lanthanide(III) Ions and the Uranyl(VI) Cation Ashley N. Carolan, Gregory M. Cockrell, Neil J. Williams, Gang Zhang, Donald G. VanDerveer, Hee-Seung Lee, Randolph P. Thummel, and Robert D. Hancock. pp 15–27   DOI: 10.1021/ic3002509   Supporting Info

B–H Bond Activation Using an Electrophilic Metal Complex: Insights into the Reaction Pathway Rahul Kumar and Balaji R. Jagirdar pp 28–36   DOI: 10.1021/ic300390s   Supporting Info

Pincer-Ligated Nickel Hydridoborate Complexes: the Dormant Species in Catalytic Reduction of Carbon Dioxide with Boranes Sumit Chakraborty, Jie Zhang, Yogi J. Patel, Jeanette A. Krause, and Hairong Guan pp 37–47   DOI: 10.1021/ic300587b   Supporting Info

P(CH)P Pincer Rhodium(I) Complexes: The Key Role of Electron-Poor Imidazoliophosphine Extremities Cécile Barthes, Christine Lepetit, Yves Canac, Carine Duhayon, Davit Zargarian, and Remi Chauvin pp 48–58   DOI: 10.1021/ic3006508   Supporting Info

Monomeric Bis(anilido)iron(II) Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Redox Reactivity toward Aryl Halides Xiaojie Wang, Zhenbo Mo, Jie Xiao, and Liang Deng pp 59–65   DOI: 10.1021/ic301894e   Supporting Info

Influence of the Substituents on the Electronic and Electrochemical Properties of a New Square-Planar Nickel-Bis(quinoxaline-6,7-dithiolate) System: Synthesis, Spectroscopy, Electrochemistry, Crystallography, and Theoretical Investigation Ramababu Bolligarla, Samala Nagaprasad Reddy, Gummadi Durgaprasad, Vudagandla Sreenivasulu, and Samar K. Das pp 66–76   DOI: 10.1021/ic301017g   Supporting Info

Embedding the Ni-SOD Mimetic Ni-NCC within a Polypeptide Sequence Alters the Specificity of the Reaction Pathway Mary E. Krause, Amanda M. Glass, Timothy A. Jackson, and Jennifer S. Laurence pp 77–83   DOI: 10.1021/ic301175f   Supporting Info

Four New Three-Dimensional Polyoxometalate-Based Metal–Organic Frameworks Constructed From [Mo6O18(O3AsPh)2]4– Polyoxoanions and Copper(I)-Organic Fragments: Syntheses, Structures, Electrochemistry, and Photocatalysis Properties Bo Liu, Jin Yang, Guo-Cheng Yang, and Jian-Fang Ma pp 84–94   DOI: 10.1021/ic301257k   Supporting Info

Zinc Hydroxyacetate and Its Transformation to Nanocrystalline Zinc Oxide Amir Moezzi, Andrew McDonagh, Annette Dowd, and Michael Cortie pp 95–102   DOI: 10.1021/ic302328e   Supporting Info

Probing the Competition among Different Coordination Motifs in Metal–Ciprofloxacin Complexes through IRMPD Spectroscopy and DFT Calculations Susanna Piccirillo, Alessandra Ciavardini, Enrico Bodo, Flaminia Rondino, Debora Scuderi, Vincent Steinmetz, and Alessandra Paladini pp 103–112   DOI: 10.1021/ic301299e   Supporting Info

New VIV-Based Metal–Organic Framework Having Framework Flexibility and High CO2 Adsorption Capacity Ying-Ya Liu, Sarah Couck, Matthias Vandichel, Maciej Grzywa, Karen Leus, Shyam Biswas, Dirk Volkmer, Jorge Gascon, Freek Kapteijn, Joeri F. M. Denayer, Michel Waroquier, Veronique Van Speybroeck, and Pascal Van Der Voort pp 113–120   DOI: 10.1021/ic301338a   Supporting Info

Steady-State and Time-Resolved Investigations on Pyrene-Based Chemosensors Javier Fernández-Lodeiro, Cristina Núñez, Catherine S. de Castro, Emilia Bértolo, J. Sérgio Seixas de Melo, José Luis Capelo, and Carlos Lodeiro pp 121–129   DOI: 10.1021/ic301365y   Supporting Info

Acid–Base Properties of the (1-4,18-36) Fragments of Neuropeptide K and their Mono- and Polynuclear Copper(II) Complexes Products of Metal-Catalyzed Oxidation Marta Błaszak, Elżbieta Jankowska, and Teresa Kowalik-Jankowska pp 130–143   DOI: 10.1021/ic301476p   Supporting Info

Low-Spin Hexacoordinate Mn(III): Synthesis and Spectroscopic Investigation of Homoleptic Tris(pyrazolyl)borate and Tris(carbene)borate Complexes Adam P. Forshaw, Jeremy M. Smith, Andrew Ozarowski, J. Krzystek, Dmitry Smirnov, S. A. Zvyagin, T. David Harris, Hemamala I. Karunadasa, Joseph M. Zadrozny, Alexander Schnegg, Karsten Holldack, Timothy A. Jackson, Ahmad Alamiri, Diane M. Barnes, and Joshua Telser pp 144–159   DOI: 10.1021/ic301630d   Supporting Info

Phosphorescence Color Tuning of Cyclometalated Iridium Complexes by o-Carborane Substitution Taewon Kim, Hyungjun Kim, Kang Mun Lee, Yoon Sup Lee, and Min Hyung Lee pp 160–168   DOI: 10.1021/ic3015699   Supporting Info

Proton-Induced Disproportionation of a Ruthenium Noninnocent Ligand Complex Yielding a Strong Oxidant and a Strong Reductant Maria Kapovsky, Christopher Dares, Elaine S. Dodsworth, Rowshan Ara Begum, Vanessa Raco, and A. B. P. Lever pp 169–181   DOI: 10.1021/ic301573c   Supporting Info

Preparation, Characterization, and Reactivity of Dinitrogen Molybdenum Complexes with Bis(diphenylphosphino)amine Derivative Ligands that Form a Unique 4-Membered P–N–P Chelate Ring Takahiko Ogawa, Yuji Kajita, Yuko Wasada-Tsutsui, Hiroaki Wasada, and Hideki Masuda pp 182–195   DOI: 10.1021/ic301577a   Supporting Info

Density Functional Theory Studies of UO22+ and NpO2+ Complexes with Carbamoylmethylphosphine Oxide Ligands Cong-Zhi Wang, Jian-Hui Lan, Yu-Liang, Zhao, Zhi-Fang Chai, Yue-Zhou Wei, and Wei-Qun Shi pp 196–203   DOI: 10.1021/ic301592f   Supporting Info

Systematic Analysis of the Demetalation Kinetics of Zinc Chlorophyll Derivatives Possessing Different Substituents at the 3-Position: Effects of the Electron-Withdrawing and Electron-Donating Strength of Peripheral Substituents Yoshitaka Saga, Yuta Kobashiri, and Kana Sadaoka pp 204–210   DOI: 10.1021/ic3016782   Supporting Info

Reactions of 11-Vertex Rhodathiaboranes with HCl: Synthesis and Reactivity of New Cl-Ligated Clusters Beatriz Calvo, Ramón Macías, Maria Jose Artigas, Fernando J. Lahoz, and Luis A. Oro pp 211–221   DOI: 10.1021/ic301715n   Supporting Info

Dinuclear Seven-Coordinate Mn(II) Complexes: Effect of Manganese(II)-Hydroxo Species on Water Exchange and Superoxide Dismutase Activity Dominik Lieb, Felix C. Friedel, Mirza Yawer, Achim Zahl, Marat M. Khusniyarov, Frank W. Heinemann, and Ivana Ivanović-Burmazović pp 222–236   DOI: 10.1021/ic301714d   Supporting Info

Hydrothermal Chemistry, Structures, and Luminescence Studies of Alkali Hafnium Fluorides Christopher C. Underwood, Colin D. McMillen, Hongyu Chen, Jeffery N. Anker, and Joseph W. Kolis pp 237–244   DOI: 10.1021/ic301760a   Supporting Info

DFT Study of Oxo-Functionalized Pentavalent Dioxouranium Complexes: Structure, Bonding, Ligand Exchange, Dimerization, and U(V)/U(IV) Reduction of OUOH and OUOSiH3 Complexes Samuel O. Odoh and Georg Schreckenbach pp 245–257   DOI: 10.1021/ic301762g   Supporting Info

Synthesis, Structure, and Spectroscopic and Magnetic Characterization of [Mn12O12(O2CCH2But)16(MeOH)4]·MeOH, a Mn12 Single-Molecule Magnet with True Axial Symmetry Christos Lampropoulos, Muralee Murugesu, Andrew G. Harter, Wolfgang Wernsdofer, Stephen Hill, Naresh S. Dalal, Arneil P. Reyes, Philip L. Kuhns, Khalil A. Abboud, and George Christou pp 258–272   DOI: 10.1021/ic301764t   Supporting Info

Syntheses, Characterization, and Optical Properties of Ternary Ba–Sn–S System Compounds: Acentric Ba7Sn5S15, Centric BaSn2S5, and Centric Ba6Sn7S20 Zhong-Zhen Luo, Chen-Sheng Lin, Wen-Dan Cheng, Hao Zhang, Wei-Long Zhang, and Zhang-Zhen He pp 273–279   DOI: 10.1021/ic301804n   Supporting Info

Highly Selective CO2 Adsorption Accompanied with Low-Energy Regeneration in a Two-Dimensional Cu(II) Porous Coordination Polymer with Inorganic Fluorinated PF6– Anions Shin-ichiro Noro, Yuh Hijikata, Munehiro Inukai, Tomohiro Fukushima, Satoshi Horike, Masakazu Higuchi, Susumu Kitagawa, Tomoyuki Akutagawa, and Takayoshi Nakamura pp 280–285   DOI: 10.1021/ic301823j   Supporting Info

Homoleptic Gadolinium Amidinates as Precursors for MOCVD of Oriented Gadolinium Nitride (GdN) Thin Films Michael Krasnopolski, Cristian G. Hrib, Rüdiger W. Seidel, Manuela Winter, Hans-Werner Becker, Detlef Rogalla, Roland A. Fischer, Frank T. Edelmann, and Anjana Devi pp 286–296   DOI: 10.1021/ic301826s   Supporting Info

Experimental and Theoretical Charge Densities of a Zinc-Containing Coordination Polymer, Zn(HCOO)2(H2O)2 Mads R. V. Jørgensen, Simone Cenedese, Henrik F. Clausen, Jacob Overgaard, Yu-Sheng Chen, Carlo Gatti, and Bo B. Iversen pp 297–305   DOI: 10.1021/ic301918x   Supporting Info

A Donor–Acceptor Tetrathiafulvalene Ligand Complexed to Iron(II): Synthesis, Electrochemistry, and Spectroscopy of [Fe(phen)2(TTF-dppz)](PF6)2 Nathalie Dupont, Ying-Fen Ran, Shi-Xia Liu, Jakob Grilj, Eric Vauthey, Silvio Decurtins, and Andreas Hauser pp 306–312   DOI: 10.1021/ic3019277

Microwave-Assisted Synthesis, Microstructure, and Physical Properties of Rare-Earth Chromites Jesús Prado-Gonjal, Rainer Schmidt, Juan-José Romero, David Ávila, Ulises Amador, and Emilio Morán pp 313–320   DOI: 10.1021/ic302000j   Supporting Info

Pyrazinoporphyrazines with Externally Appended Pyridine Rings. 13. Structure, UV–Visible Spectral Features, and Noncovalent Interaction with DNA of a Positively Charged Binuclear (ZnII/PtII) Macrocycle with Multimodal Anticancer Potentialities Ilse Manet, Francesco Manoli, Maria Pia Donzello, Elisa Viola, Annalisa Masi, Giuseppina Andreano, Giampaolo Ricciardi, Angela Rosa, Luciano Cellai, Claudio Ercolani, and Sandra Monti pp 321–328   DOI: 10.1021/ic3020755   Supporting Info

Quintuple Bond Reactivity toward Group 16 and 17 Elements: Addition vs Insertion Emmanuel Sobgwi Tamne, Awal Noor, Sadaf Qayyum, Tobias Bauer, and Rhett Kempe pp 329–336   DOI: 10.1021/ic3020805

Time-Resolved Assembly of Chiral Uranyl Peroxo Cage Clusters Containing Belts of Polyhedra Jie Qiu, Kevin Nguyen, Laurent Jouffret, Jennifer E. S. Szymanowski, and Peter C. Burns pp 337–345   DOI: 10.1021/ic3020817   Supporting Info

Trimethylaluminum and Borane Complexes of Primary Amines Balázs Németh, Jean-Paul Guégan, Tamás Veszprémi, and Jean-Claude Guillemin pp 346–354   DOI: 10.1021/ic302091t   Supporting Info

Structural Phase Transitions on AgCuS Stromeyerite Mineral under Compression D. Santamaria-Perez, A. Morales-Garcia, D. Martinez-Garcia, B. Garcia-Domene, C. Mühle, and M. Jansen pp 355–361   DOI: 10.1021/ic302116b

Interaction of NO with Cu and Heme-Bound Aβ Peptides Associated with Alzheimer’s Disease Chandradeep Ghosh, Debajyoti Pramanik, Soumya Mukherjee, Abhishek Dey, and Somdatta Ghosh Dey pp 362–368   DOI: 10.1021/ic302131n   Supporting Info

Solvated-Ion-Pairing-Sensitive Molecular Bistability Based on Copper(I)-Coordinated Pyrimidine Ring Rotation Michihiro Nishikawa, Kuniharu Nomoto, Shoko Kume, and Hiroshi Nishihara pp 369–380   DOI: 10.1021/ic302141z   Supporting Info

Systematic Investigation of Relationship between Strength of NH···S Hydrogen Bond and Reactivity of Molybdoenzyme Models Taka-aki Okamura, Yasuhito Ushijima, Yui Omi, and Kiyotaka Onitsuka pp 381–394   DOI: 10.1021/ic302149p   Supporting Info

Magnetic Structure and Properties of the Na2CoP2O7 Pyrophosphate Cathode for Sodium-Ion Batteries: A Supersuperexchange-Driven Non-Collinear Antiferromagnet Prabeer Barpanda, Maxim Avdeev, Chris D. Ling, Jiechen Lu, and Atsuo Yamada pp 395–401   DOI: 10.1021/ic302191d

Unprecedented Conformational Variability in Main Group Inorganic Chemistry: the Tetraazidoarsenite and -Antimonite Salts A+[M(N3)4]− (A = NMe4, PPh4, (Ph3P)2N; M = As, Sb), Five Similar Salts, Five Different Anion Structures Ralf Haiges, Martin Rahm, and Karl O. Christe pp 402–414   DOI: 10.1021/ic3021996   Supporting Info

Soft-Chemical Exfoliation of RbSrNb2O6F into Homogeneously Unilamellar Oxyfluoride Nanosheets Tadashi C. Ozawa, Katsutoshi Fukuda, Yasuo Ebina, and Takayoshi Sasaki pp 415–422   DOI: 10.1021/ic3022276   Supporting Info

New BDH-TTP/[MIII(C5O5)3]3– (M = Fe, Ga) Isostructural Molecular Metals Luca Pilia, Elisa Sessini, Flavia Artizzu, Masahiro Yamashita, Angela Serpe, Kazuya Kubo, Hiroshi Ito, Hisaaki Tanaka, Shin-ichi Kuroda, Jun-ichi Yamada, Paola Deplano, Carlos J. Gómez-García, and Maria Laura Mercuri pp 423–430   DOI: 10.1021/ic302234j   Supporting Info

Garnet-to-Perovskite Transition in Gd3Sc2Ga3O12 at High Pressure and High Temperature Chuanlong Lin, Jing Liu, Jung-Fu Lin, Xiaodong Li, Yanchun Li, Qingli Zhang, Lun Xiong, and Rui Li pp 431–434   DOI: 10.1021/ic302245x

Sulfonate Complexes of Actinide Ions: Structural Diversity in Uranyl Complexes with 2-Sulfobenzoate Pierre Thuéry pp 435–447   DOI: 10.1021/ic3022744   Supporting Info

Using Substituted Cyclometalated Quinoxaline Ligands To Finely Tune the Luminescence Properties of Iridium(III) Complexes Emily E. Langdon-Jones, Andrew J. Hallett, Jack D. Routledge, David A. Crole, Benjamin D. Ward, James A. Platts, and Simon J. A. Pope pp 448–456   DOI: 10.1021/ic301853t   Supporting Info

Symmetry-Related [LnIII6MnIII12] Clusters toward Single-Molecule Magnets and Cryogenic Magnetic Refrigerants Jun-Liang Liu, Wei-Quan Lin, Yan-Cong Chen, Ji-Dong Leng, Fu-Sheng Guo, and Ming-Liang Tong pp 457–463   DOI: 10.1021/ic302349f   Supporting Info

Nitrate-to-Nitrite-to-Nitric Oxide Conversion Modulated by Nitrate-Containing {Fe(NO)2}9 Dinitrosyl Iron Complex (DNIC) Fu-Te Tsai, Yu-Ching Lee, Ming-Hsi Chiang, and Wen-Feng Liaw pp 464–473   DOI: 10.1021/ic3023437   Supporting Info

New Insights in the Formation of Five- Versus Seven-Membered Platinacycles: A Kinetico-Mechanistic Study Paul V. Bernhardt, Teresa Calvet, Margarita Crespo, Mercè Font-Bardía, Susanna Jansat, and Manuel Martínez pp 474–484   DOI: 10.1021/ic3023584   Supporting Info

Assembly of Organic–Inorganic Hybrid Supramolecular Materials Based on Basketlike {MP6Mo18O73} (M = Ca, Sr, Ba) Cage and Transition-Metal Complex Kai Yu, Bin Wan, Yang Yu, Lu Wang, Zhan-hua Su, Chun-mei Wang, Chun-xiao Wang, and Bai-Bin Zhou pp 485–498   DOI: 10.1021/ic302311q   Supporting Info

Synthesis, Crystal and Electronic Structures of the New Zintl phases Ba3Al3Pn5 (Pn = P, As) and Ba3Ga3P5 Hua He, Chauntae Tyson, Maia Saito, and Svilen Bobev pp 499–505   DOI: 10.1021/ic302437t   Supporting Info

Molecular versus Ionic Structures in Adducts of GaX3 with Monodentate Carbon-Based Ligands Ahmad El-Hellani, Julien Monot, Régis Guillot, Christophe Bour, and Vincent Gandon pp 506–514   DOI: 10.1021/ic302440g   Supporting Info

Synthesis, Structure, and Reactivity of Iridium(III) Complexes Containing a 4,6-Dimethyl-1,3-benzenediphenylimine Pincer Ligand Leah A. Wingard, Mathew C. Finniss, Michael Norris, Peter S. White, Maurice Brookhart, and Joseph L. Templeton pp 515–526   DOI: 10.1021/ic302589b   Supporting Info

Correction to Preparation of a Diphosphine with Persistent Phosphinyl Radical Character in Solution: Characterization, Reactivity with O2, S8, Se, Te, and P4, and Electronic Structure Calculations Nick A. Giffin, Arthur D. Hendsbee, Tracey L. Roemmele, Michael D. Lumsden, Cory C. Pye, and Jason D. Masuda pp 527–527   DOI: 10.1021/ic302621f

Correction to Structural, Electronic, and Acid/Base Properties of [Ru(bpy)2(bpy(OH)2)]2+ (bpy = 2,2′-Bipyridine, bpy(OH)2 = 4,4′-Dihydroxy-2,2′-bipyridine) Samantha Klein, William G. Dougherty, W. Scott Kassel, Timothy J. Dudley, and Jared J. Paul pp 528–528   DOI: 10.1021/ic302648u

Issue 02

Uranium–Ligand Multiple Bonding in Uranyl Analogues, [L═U═L]n+, and the Inverse Trans Influence Henry S. La Pierre and Karsten Meyer pp 529–539   DOI: 10.1021/ic302412j

Possible Superhardness of CrB4 Arno Knappschneider, Christian Litterscheid, Dmytro Dzivenko, Joshua A. Kurzman, Ram Seshadri, Norbert Wagner, Johannes Beck, Ralf Riedel, and Barbara Albert pp 540–542   DOI: 10.1021/ic3020404   Supporting Info

C–H Bond Activation of the Methyl Group of the Supporting Ligand in an Osmium(III) Complex upon Reaction with H2O2: Formation of an Organometallic Osmium(IV) Complex Hideki Sugimoto, Kenji Ashikari, and Shinobu Itoh pp 543–545   DOI: 10.1021/ic302169k   Supporting Info

First Examples of Metal–Organic Frameworks with the Novel 3,3′-(1,2,4,5-Tetrazine-3,6-diyl)dibenzoic Spacer. Luminescence and Adsorption Properties A. J. Calahorro, Antonio Peñas-Sanjuan, Manuel Melguizo, David Fairen-Jimenez, Guillermo Zaragoza, Belén Fernández, Alfonso Salinas-Castillo, and A. Rodríguez-Diéguez pp 546–548   DOI: 10.1021/ic302318j   Supporting Info

Switchable Phase Behavior of [HBet][Tf2N]–H2O upon Neodymium Loading: Implications for Lanthanide Separations Daniel P. Fagnant, Jr., George S. Goff, Brian L. Scott, Wolfgang Runde, and Joan F. Brennecke pp 549–551   DOI: 10.1021/ic302359d   Supporting Info

DNA Sensing by a Eu-Binding Peptide Containing a Proflavine Unit Laetitia Ancel, Christelle Gateau, Colette Lebrun, and Pascale Delangle pp 552–554   DOI: 10.1021/ic302456q   Supporting Info

Sulfonium Polyoxometalates: A New Class of Solid-State Photochromic Hybrid Organic–Inorganic Materials Khadija Hakouk, Olivier Oms, Anne Dolbecq, Hani El Moll, Jérôme Marrot, Michel Evain, Florian Molton, Carole Duboc, Philippe Deniard, Stéphane Jobic, Pierre Mialane, and Rémi Dessapt pp 555–557   DOI: 10.1021/ic302477p   Supporting Info

Luminescent Metallogels of Bis-Cyclometalated Alkynylgold(III) Complexes Vonika Ka-Man Au, Nianyong Zhu, and Vivian Wing-Wah Yam pp 558–567   DOI: 10.1021/ic3007519   Supporting Info

Polymorphism of Alkali Bis(fluorosulfonyl)amides (M[N(SO2F)2], M = Na, K, and Cs) Kazuhiko Matsumoto, Takaaki Oka, Toshiyuki Nohira, and Rika Hagiwara pp 568–576   DOI: 10.1021/ic3010486   Supporting Info

Synthesis, Structure, and Transport Properties of Type-I Derived Clathrate Ge46–xPxSe8–y (x = 15.4(1); y = 0–2.65) with Diverse Host–Guest Bonding Maria A. Kirsanova, Takao Mori, Satofumi Maruyama, Maria Matveeva, Dmitry Batuk, Artem M. Abakumov, Andrei V. Gerasimenko, Andrei V. Olenev, Yuri Grin, and Andrei V. Shevelkov pp 577–588   DOI: 10.1021/ic3011025   Supporting Info

Luminescent Li-Based Metal–Organic Framework Tailored for the Selective Detection of Explosive Nitroaromatic Compounds: Direct Observation of Interaction Sites Tae Kyung Kim, Jae Hwa Lee, Dohyun Moon, and Hoi Ri Moon pp 589–595   DOI: 10.1021/ic3011458   Supporting Info

Electronic and Photophysical Properties of Platinum(II) Biphenyl Complexes Containing 2,2′-Bipyridine and 1,10-Phenanthroline Ligands D. Paul Rillema, Arvin J. Cruz, Curtis Moore, Khamis Siam, A. Jehan, Derek Base, T. Nguyen, and Wei Huang pp 596–607   DOI: 10.1021/ic301393e   Supporting Info

Synthesis, Ab Initio X-ray Powder Diffraction Crystal Structure, and Magnetic Properties of Mn3(OH)2(C6H2O4S)2 Metal–Organic Framework Romain Sibille, Thomas Mazet, Erik Elkaïm, Bernard Malaman, and Michel François pp 608–616   DOI: 10.1021/ic301423c   Supporting Info

95Mo Solid-State Nuclear Magnetic Resonance Spectroscopy and Quantum Simulations: Synergetic Tools for the Study of Molybdenum Cluster Materials Jérôme Cuny, Stéphane Cordier, Christiane Perrin, Chris J. Pickard, Laurent Delevoye, Julien Trébosc, Zhehong Gan, Laurent Le Pollès, and Régis Gautier pp 617–627   DOI: 10.1021/ic301648s   Supporting Info

Ligand Effects on the Overpotential for Dioxygen Reduction by Tris(2-pyridylmethyl)amine Derivatives Matthew A. Thorseth, Christopher S. Letko, Edmund C. M. Tse, Thomas B. Rauchfuss, and Andrew A. Gewirth pp 628–634   DOI: 10.1021/ic301656x   Supporting Info

Oxidation and Reduction of Bis(imino)pyridine Iron Dinitrogen Complexes: Evidence for Formation of a Chelate Trianion. Aaron M. Tondreau, S. Chantal E. Stieber, Carsten Milsmann, Emil Lobkovsky, Thomas Weyhermüller, Scott P. Semproni, and Paul J. Chirik pp 635–646   DOI: 10.1021/ic301675t   Supporting Info

Synthesis and Properties of Multifunctional Tetragonal Eu:GdPO4 Nanocubes for Optical and Magnetic Resonance Imaging Applications Sonia Rodriguez-Liviano, Ana I. Becerro, David Alcántara, Valeria Grazú, Jesus M. de la Fuente, and Manuel Ocaña pp 647–654   DOI: 10.1021/ic3016996   Supporting Info

What Occurs by Replacing Mn2+ with Co2+ in Human Arginase I: First-Principles Computational Analysis Tiziana Marino, Nino Russo, and Marirosa Toscano pp 655–659   DOI: 10.1021/ic301703t   Supporting Info

Five Coordinate M(II)-Diphenolate [M = Zn(II), Ni(II), and Cu(II)] Schiff Base Complexes Exhibiting Metal- and Ligand-Based Redox Chemistry Mark Franks, Anastasia Gadzhieva, Laura Ghandhi, David Murrell, Alexander J. Blake, E. Stephen Davies, William Lewis, Fabrizio Moro, Jonathan McMaster, and Martin Schröder pp 660–670   DOI: 10.1021/ic301731w   Supporting Info

Synthesis, Structures, and Photochemistry of Tricarbonyl Metal Polyoxoanion Complexes, [X2W20O70{M(CO)3}2]12– (X = Sb, Bi and M = Re, Mn) Chongchao Zhao, Choon Sung Kambara, Ye Yang, Alexey L. Kaledin, Djamaladdin G. Musaev, Tianquan Lian, and Craig L. Hill pp 671–678   DOI: 10.1021/ic301766b   Supporting Info

Metal Binding of Flavonoids and Their Distinct Inhibition Mechanisms Toward the Oxidation Activity of Cu2+–β-Amyloid: Not Just Serving as Suicide Antioxidants! William Maung Tay, Giordano F. Z. da Silva, and Li-June Ming pp 679–690   DOI: 10.1021/ic301832p

Iron Coordination Chemistry with New Ligands Containing Triazole and Pyridine Moieties. Comparison of the Coordination Ability of the N-Donors Nathalie Ségaud, Jean-Noël Rebilly, Katell Sénéchal-David, Régis Guillot, Laurianne Billon, Jean-Pierre Baltaze, Jonathan Farjon, Olivia Reinaud, and Frédéric Banse pp 691–700   DOI: 10.1021/ic301834x   Supporting Info

Metal–Metal Bonding in Low-Coordinate Dicobalt Complexes Supported by Phosphinoamide Ligands Ramyaa Mathialagan, Subramaniam Kuppuswamy, Alexandra T. De Denko, Mark W. Bezpalko, Bruce M. Foxman, and Christine M. Thomas pp 701–706   DOI: 10.1021/ic3018375   Supporting Info

Theoretical Investigation into the Mechanism of 3′-dGMP Oxidation by [PtIVCl4(dach)] Alireza Ariafard, Narges Mahdizadeh Ghohe, Kiana Khadem Abbasi, Allan J. Canty, and Brian F. Yates pp 707–717   DOI: 10.1021/ic3018425   Supporting Info

Elucidating Magnetic Exchange and Anisotropy in Weakly Coupled MnIII Dimers Junjie Liu, J. Krzystek, Stephen Hill, Leonı́ Barrios, and Guillem Aromı́ pp 718–723   DOI: 10.1021/ic301849f

PbMnIn2S5: Synthesis, Structure, and Properties Peng Yu, Li-Ming Wu, and Ling Chen pp 724–728   DOI: 10.1021/ic3018584   Supporting Info

End-On and Side-On π-Acid Ligand Adducts of Gold(I): Carbonyl, Cyanide, Isocyanide, and Cyclooctyne Gold(I) Complexes Supported by N-Heterocyclic Carbenes and Phosphines Mehmet Ali Celik, Chandrakanta Dash, Venkata A. K. Adiraju, Animesh Das, Muhammed Yousufuddin, Gernot Frenking, and H. V. Rasika Dias pp 729–742   DOI: 10.1021/ic301869v   Supporting Info

NIR- and FRET-Based Sensing of Cu2+ and S2- in Physiological Conditions and in Live Cells Chirantan Kar, Manab Deb Adhikari, Aiyagari Ramesh, and Gopal Das pp 743–752   DOI: 10.1021/ic301872q   Supporting Info

Magnetic Order Through Super-Superexchanges in the Polar Magnetoelectric Organic–Inorganic Hybrid Cr[(D3N-(CH2)2-PO3)(Cl)(D2O)] Gwilherm Nénert, Hyun-Joo Koo, Claire V. Colin, Elvira M. Bauer, Carlo Bellitto, Clemens Ritter, Guido Righini, and Myung-Hwan Whangbo pp 753–760   DOI: 10.1021/ic301874v

Trivalent Actinide and Lanthanide Complexation of 5,6-Dialkyl-2,6-bis(1,2,4-triazin-3-yl)pyridine (RBTP; R = H, Me, Et) Derivatives: A Combined Experimental and First-Principles Study Arunasis Bhattacharyya, Eunja Kim, Philippe F. Weck, Paul M. Forster, and Kenneth R. Czerwinski pp 761–776   DOI: 10.1021/ic301881w   Supporting Info

Octamolybdate-Based Metal–Organic Framework with Unsaturated Coordinated Metal Center As Electrocatalyst for Generating Hydrogen from Water Yun Gong, Tao Wu, Peng Gang Jiang, Jian Hua Lin, and Yong Xi Yang pp 777–784   DOI: 10.1021/ic3018858   Supporting Info

Incorporation of Sulfide Ions into the Cadmium(II) Thiolate Cluster of Cicer arietinum Metallothionein2 Xiaoqiong Wan and Eva Freisinger pp 785–792   DOI: 10.1021/ic301907j   Supporting Info

Copper-, Palladium-, and Platinum-Containing Complexes of an Asymmetric Dinucleating Ligand Mohammad Reza Halvagar, Benjamin Neisen, and William B. Tolman pp 793–799   DOI: 10.1021/ic301914u   Supporting Info

Carbon-Induced Ferromagnetism in the Antiferromagnetic Metallic Host Material Mn3ZnN Ying Sun, Yanfeng Guo, Yoshihiro Tsujimoto, Jiajia Yang, Bin Shen, Wei Yi, Yoshitaka Matsushita, Cong Wang, Xia Wang, Jun Li, Clastin I. Sathish, and Kazunari Yamaura pp 800–806   DOI: 10.1021/ic3019265   Supporting Info

Is BiPO4 a Better Luminescent Host? Case Study on Doping and Annealing Effects Minglei Zhao, Liping Li, Jing Zheng, Liusai Yang, and Guangshe Li pp 807–815   DOI: 10.1021/ic3019315   Supporting Info

Probing the Chemical Nature of Dihydrogen Complexation to Transition Metals, a Gas Phase Case Study: H2–CuF Daniel J. Frohman, G. S. Grubbs, II, Zhenhong Yu, and Stewart E. Novick pp 816–822   DOI: 10.1021/ic301941k   Supporting Info

Crystallographic and Computational Studies of Luminescent, Binuclear Gold(I) Complexes, AuI2(Ph2P(CH2)nPPh2)2I2 (n = 3–6) Sang Ho Lim, Jennifer C. Schmitt, Jason Shearer, Jianhua Jia, Marilyn M. Olmstead, James C. Fettinger, and Alan L. Balch pp 823–831   DOI: 10.1021/ic301954n   Supporting Info

Pressure-Induced Valence and Structural Changes in YbMn2Ge2—Inelastic X-ray Spectroscopy and Theoretical Investigations Ravhi S. Kumar, A. Svane, G. Vaitheeswaran, Y. Zhang, V. Kanchana, M. Hofmann, S. J. Campbell, Yuming Xiao, P. Chow, Changfeng Chen, Yusheng Zhao, and Andrew L. Cornelius pp 832–839   DOI: 10.1021/ic3019698

Flash-Quench Studies on the One-Electron Reduction of Triiodide Byron H. Farnum, William M. Ward, and Gerald J. Meyer pp 840–847   DOI: 10.1021/ic302002u

A 2:1 Dicationic Complex of Tetraethyl Methylenebisphosphonate with Uranyl Ion in Acetonitrile and Ionic Liquids Yupeng Liu, Taiwei Chu, and Xiangyun Wang pp 848–854   DOI: 10.1021/ic302005e   Supporting Info

A Straight Forward Route for the Development of Metal–Organic Frameworks Functionalized with Aromatic −OH Groups: Synthesis, Characterization, and Gas (N2, Ar, H2, CO2, CH4, NH3) Sorption Properties Ioannis Spanopoulos, Pantelis Xydias, Christos D. Malliakas, and Pantelis N. Trikalitis pp 855–862   DOI: 10.1021/ic302010e   Supporting Info

Functionalized Adamantane Tectons Used in the Design of Mixed-Ligand Copper(II) 1,2,4-Triazolyl/Carboxylate Metal–Organic Frameworks Ganna A. Senchyk, Andrey B. Lysenko, Harald Krautscheid, Eduard B. Rusanov, Alexander N. Chernega, Karl W. Krämer, Shi-Xia Liu, Silvio Decurtins, and Konstantin V. Domasevitch pp 863–872   DOI: 10.1021/ic3020157   Supporting Info

Comproportionation Reactions to Manganese(III/IV) Pivalate Clusters: A New Half-Integer Spin Single-Molecule Magnet Shreya Mukherjee, Khalil A. Abboud, Wolfgang Wernsdorfer, and George Christou pp 873–884   DOI: 10.1021/ic302021a   Supporting Info

Ligand-Based Charge-Transfer Luminescence in Ionic Cyclometalated Iridium(III) Complexes Bearing a Pyrene-Functionalized Bipyridine Ligand: A Joint Theoretical and Experimental Study Edwin C. Constable, Markus Neuburger, Pirmin Rösel, Gabriel E. Schneider, Jennifer A. Zampese, Catherine E. Housecroft, Filippo Monti, Nicola Armaroli, Rubén D. Costa, and Enrique Ortí pp 885–897   DOI: 10.1021/ic302026f   Supporting Info

Syntheses and Electronic Structure of Bimetallic Complexes Containing a Flexible Redox-Active Bridging Ligand Stacey Lindsay, Siu K. Lo, Oliver R. Maguire, Eckhard Bill, Michael R. Probert, Stephen Sproules, and Corinna R. Hess pp 898–909   DOI: 10.1021/ic302087f   Supporting Info

Copper Iminopyrrolidinates: A Study of Thermal and Surface Chemistry Jason P. Coyle, Peter J. Pallister, Agnieszka Kurek, Eric R. Sirianni, Glenn P. A. Yap, and Seán T. Barry pp 910–917   DOI: 10.1021/ic3021035

Copper(I) and Silver(I) Complexes Supported by the Tridentate [{Ti(η5-C5Me5)(μ-NH)}3(μ3-N)] Metalloligand Avelino Martín, Noelia Martínez-Espada, Miguel Mena, Adrián Pérez-Redondo, and Carlos Yélamos pp 918–930   DOI: 10.1021/ic302113k   Supporting Info

Cage-Forming Compounds in the Ba–Rh–Ge System: From Thermoelectrics to Superconductivity M. Falmbigl, F. Kneidinger, M. Chen, A. Grytsiv, H. Michor, E. Royanian, E. Bauer, H. Effenberger, R. Podloucky, and P. Rogl pp 931–943   DOI: 10.1021/ic302139r   Supporting Info

Synthesis, Properties, and Complex Crystal Structure of Th2Se5 Brian J. Bellott, Christos D. Malliakas, Lukasz A. Koscielski, Mercouri G. Kanatzidis, and James A. Ibers pp 944–949   DOI: 10.1021/ic302154p   Supporting Info

Li11Nd18Fe4O39−δ Revisited Peter D. Battle, Sian E. Dutton, Fernande Grandjean, Gary J. Long, and Katsuyoshi Oh-ishi pp 950–952   DOI: 10.1021/ic302209d

Synthesis, Structural Characterization, and Physical Properties of the Early Rare-Earth Metal Digermanides REGe2–x (x ≈ 1/4) [RE = La–Nd, Sm]. A Case Study of Commensurately and Incommensurately Modulated Structures Jiliang Zhang, Paul H. Tobash, William D. Pryz, Douglas J. Buttey, Namjung Hur, Joe D. Thompson, John L. Sarrao, and Svilen Bobev pp 953–964   DOI: 10.1021/ic3021645   Supporting Info

From Order to Disorder and Back Again: In Situ Hydrothermal Redox Reactions of Uranium Phosphites and Phosphates Eric M. Villa, Connor J. Marr, Juan Diwu, Evgeny V. Alekseev, Wulf Depmeier, and Thomas E. Albrecht-Schmitt pp 965–973   DOI: 10.1021/ic302198w   Supporting Info

Novel Bis-C,N-Cyclometalated Iridium(III) Thiosemicarbazide Antitumor Complexes: Interactions with Human Serum Albumin and DNA, and Inhibition of Cathepsin B José Ruiz, Consuelo Vicente, Concepción de Haro, and Delia Bautista pp 974–982   DOI: 10.1021/ic302219v   Supporting Info

Phase Equilibria in the Mo–Fe–P System at 800 °C and Structure of Ternary Phosphide (Mo1–xFex)3P (0.10 ≤ x ≤ 0.15) Anton O. Oliynyk, Yaroslava F. Lomnytska, Mariya V. Dzevenko, Stanislav S. Stoyko, and Arthur Mar pp 983–991   DOI: 10.1021/ic302243p   Supporting Info

Single-Ion Values for Ionic Solids of Both Formation Enthalpies, ΔfH(298)ion, and Gibbs Formation Energies, ΔfG(298)ion Leslie Glasser pp 992–998   DOI: 10.1021/ic3022479   Supporting Info

Unusual Formation of a Stable 2D Copper Porphyrin Network Anna A. Sinelshchikova, Sergey E. Nefedov, Yulia Yu. Enakieva, Yulia G. Gorbunova, Aslan Yu. Tsivadze, Karl M. Kadish, Ping Chen, Alla Bessmertnykh-Lemeune, Christine Stern, and Roger Guilard pp 999–1008   DOI: 10.1021/ic302257g   Supporting Info

Reduction of Sr2MnO4 Investigated by High Temperature in Situ Neutron Powder Diffraction under Hydrogen Flow Thibault Broux, Mona Bahout, Olivier Hernandez, Florent Tonus, Serge Paofai, Thomas Hansen, and Colin Greaves pp 1009–1017   DOI: 10.1021/ic302265f

Di- and Tri-Cobalt Silicotungstates: Synthesis, Characterization, and Stability Studies Guibo Zhu, Yurii V. Geletii, Jie Song, Chongchao Zhao, Elliot N. Glass, John Bacsa, and Craig L. Hill pp 1018–1024   DOI: 10.1021/ic302279m   Supporting Info

Synthesis, Crystal Structure, and Electronic Properties of the Tetragonal (REIREII)3SbO3 Phases (REI = La, Ce; REII = Dy, Ho) Scott Forbes, Peng Wang, Jinlei Yao, Taras Kolodiazhnyi, and Yurij Mozharivskyj pp 1025–1031   DOI: 10.1021/ic302292w   Supporting Info

Structural, Electronic, and Ferroelectric Properties of Compressed CdPbO3 Polymorphs Yuanhui Xu, Xianfeng Hao, Cesare Franchini, and Faming Gao pp 1032–1039   DOI: 10.1021/ic302298s   Supporting Info

Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure Stanislav S. Stoyko, Krishna K. Ramachandran, C. Scott Mullen, and Arthur Mar pp 1040–1046   DOI: 10.1021/ic3023375   Supporting Info

Face-to-Face Stacks of Trinuclear Gold(I) Trihalides with Benzene, Hexafluorobenzene, and Borazine: Impact of Aromaticity on Stacking Interactions Athanassios C. Tsipis and Alexandros V. Stalikas pp 1047–1060   DOI: 10.1021/ic302353t   Supporting Info

Synthesis, Crystal Structure, and Magnetic Properties of the Coordination Polymer [Fe(NCS)2(1,2-bis(4-pyridyl)-ethylene)]n Showing a Two Step Metamagnetic Transition Susanne Wöhlert, Mario Wriedt, Tomasz Fic, Zbigniew Tomkowicz, Wolfgang Haase, and Christian Näther pp 1061–1068   DOI: 10.1021/ic302370n   Supporting Info

Axial Ligand Exchange of N-heterocyclic Cobalt(III) Schiff Base Complexes: Molecular Structure and NMR Solution Dynamics Lisa M. Manus, Robert J. Holbrook, Tulay A. Atesin, Marie C. Heffern, Allison S. Harney, Amanda L. Eckermann, and Thomas J. Meade pp 1069–1076   DOI: 10.1021/ic302379j   Supporting Info

Probing the Nature of the Co(III) Ion in Corrins: Comparison of Reactions of Aquacyanocobyrinic Acid Heptamethyl Ester and Aquacyano-Stable Yellow Cobyrinic Acid Hexamethyl Ester with Neutral N-Donor Ligands Susan M. Chemaly, Louise Kendall, Monika Nowakowska, Dale Pon, Christopher B. Perry, and Helder M. Marques pp 1077–1083   DOI: 10.1021/ic302386u   Supporting Info

Molecular Recognition Using Ruthenium(II) Porphyrin Thiol Complexes as Probes Júlio S. Rebouças and Brian R. James pp 1084–1098   DOI: 10.1021/ic302401m   Supporting Info

Self-Assembly of Pentanuclear Mesocate versus Octanuclear Helicate: Size Effect of the [MII3(μ3-O/X)]n+ Triangle Core Xin Bao, Wei Liu, Jun-Liang Liu, Silvia Gómez-Coca, Eliseo Ruiz, and Ming-Liang Tong pp 1099–1107   DOI: 10.1021/ic3024056   Supporting Info

Pressure-Dependent Enhanced Tc and Magnetic Behavior of the Metamagnetic and Ferromagnetic Polymorphs of [FeIIICp*2]•+[TCNQ]•– (Cp* = Pentamethylcyclopentadienide; TCNQ = 7,7,8,8-Tetracyano-p-quinodimethane) Jack G. DaSilva and Joel S. Miller pp 1108–1112   DOI: 10.1021/ic302420s

2,2,2-Tris(pyrazolyl)ethoxide (EpOX) Ruthenium(II) Complexes, (EpOX)RuCl(L)(L′): Synthesis, Structure, and Reactivity Brandon Quillian, Evan E. Joslin, T. Brent Gunnoe, Michal Sabat, and William H. Myers pp 1113–1121   DOI: 10.1021/ic3024474   Supporting Info

Shape-, Size-, and Functional Group-Selective Binding of Small Organic Guests in a Paramagnetic Coordination Cage Simon Turega, Martina Whitehead, Benjamin R. Hall, Anthony J. H. M. Meijer, Christopher A. Hunter, and Michael D. Ward pp 1122–1132   DOI: 10.1021/ic302498t   Supporting Info

Effects of Isolobal Heteroatoms in Divanadium-Substituted γ-Keggin-type Polyoxometalates on (OV)2(μ-OH)2 Diamond and (OV)2(μ-O) Core Structures and the Transformation Kazuhiro Uehara, Tatsuya Taketsugu, Kazuhiro Yonehara, and Noritaka Mizuno pp 1133–1140   DOI: 10.1021/ic302508c   Supporting Info

Hydration Properties of the Zn2+ Ion in Water at High Pressure Valentina Migliorati, Giordano Mancini, Simone Tatoli, Andrea Zitolo, Adriano Filipponi, Simone De Panfilis, Andrea Di Cicco, and Paola D’Angelo pp 1141–1150   DOI: 10.1021/ic302530k   Supporting Info

Lifetime Heterogeneity of DNA-Bound dppz Complexes Originates from Distinct Intercalation Geometries Determined by Complex–Complex Interactions Johanna Andersson, Louise H. Fornander, Maria Abrahamsson, Eimer Tuite, Pär Nordell, and Per Lincoln pp 1151–1159   DOI: 10.1021/ic302626d

Issue 03

A Chemosensor Built with Rhodamine Derivatives Appended to an Aromatic Platform via 1,2,3-Triazoles: Dual Detection of Aluminum(III) and Fluoride/Acetate Ions Shubhra B. Maity and Parimal K. Bharadwaj pp 1161–1163   DOI: 10.1021/ic301915s   Supporting Info

A Route to Metal–Organic Frameworks through Framework Templating Zhangwen Wei, Weigang Lu, Hai-Long Jiang, and Hong-Cai Zhou pp 1164–1166   DOI: 10.1021/ic3019937   Supporting Info

Lawsone Dimerization in Cobalt(III) Complexes toward the Design of New Prototypes of Bioreductive Prodrugs Francisco L. S. Bustamante, Julia M. Metello, Frederico A. V. de Castro, Carlos B. Pinheiro, Marcos D. Pereira, and Mauricio Lanznaster pp 1167–1169   DOI: 10.1021/ic302175t   Supporting Info

Ruthenium(II) Dichloride Complexes of Chiral, Tetradentate Aminosulfoxide Ligands: Stereoisomerism and Redox-Induced Linkage Isomerism Peter O. Atolagbe, Krista N. Taylor, Samantha E. Wood, Arnold L. Rheingold, Lenora K. Harper, Craig A. Bayse, and Tim J. Brunker pp 1170–1172   DOI: 10.1021/ic302188y   Supporting Info

Chromium(IV) Siloxide Michael P. Marshak and Daniel G. Nocera pp 1173–1175   DOI: 10.1021/ic3023612   Supporting Info

2-Pyrrolyloximes in High-Nuclearity Transition-Metal Cluster Chemistry: Fe10 and Fe12 Evangelia S. Koumousi, Anastasia Routzomani, Tu N. Nguyen, Dimosthenis P. Giannopoulos, Catherine P. Raptopoulou, Vassilis Psycharis, George Christou, and Theocharis C. Stamatatos pp 1176–1178   DOI: 10.1021/ic3023908   Supporting Info

Slow Magnetization Relaxation in Unprecedented MnIII4DyIII3 and MnIII4DyIII5 Clusters from the Use of N-Salicylidene-o-aminophenol Dimitris I. Alexandropoulos, Tu N. Nguyen, Luís Cunha-Silva, Theodoros F. Zafiropoulos, Albert Escuer, George Christou, and Theocharis C. Stamatatos pp 1179–1181   DOI: 10.1021/ic302505p   Supporting Info

Volatility and High Thermal Stability in Mid-to-Late First-Row Transition-Metal Complexes Containing 1,2,5-Triazapentadienyl Ligands Lakmal C. Kalutarage, Mary Jane Heeg, Philip D. Martin, Mark J. Saly, David S. Kuiper, and Charles H. Winter pp 1182–1184   DOI: 10.1021/ic302787z   Supporting Info

Computational Modeling of the Triplet Metal-to-Ligand Charge-Transfer Excited-State Structures of Mono-Bipyridine–Ruthenium(II) Complexes and Comparisons to their 77 K Emission Band Shapes Richard L. Lord, Marco M. Allard, Ryan A. Thomas, Onduro S. Odongo, H. Bernhard Schlegel, Yuan-Jang Chen, and John F. Endicott pp 1185–1198   DOI: 10.1021/ic300935k   Supporting Info

Improved Photochromic Properties on Viologen-Based Inorganic–Organic Hybrids by Using π-Conjugated Substituents as Electron Donors and Stabilizers Rong-Guang Lin, Gang Xu, Ming-Sheng Wang, Gang Lu, Pei-Xin Li, and Guo-Cong Guo pp 1199–1205   DOI: 10.1021/ic301181b   Supporting Info

Synthesis and Properties of New Phosphorescent Red Light-Excitable Platinum(II) and Palladium(II) Complexes with Schiff Bases for Oxygen Sensing and Triplet–Triplet Annihilation-Based Upconversion Sergey M. Borisov, Robert Saf, Roland Fischer, and Ingo Klimant pp 1206–1216   DOI: 10.1021/ic301440k   Supporting Info

Quantum Chemical Topology Study of the Water-Platinum(II) Interaction Jacqueline Bergès, Isabelle Fourré, Julien Pilmé, and Jiri Kozelka pp 1217–1227   DOI: 10.1021/ic301512c   Supporting Info

Computational Quantification of the Physicochemical Effects of Heme Distortion: Redox Control in the Reaction Center Cytochrome Subunit of Blastochloris viridis Stuart A. MacGowan and Mathias O. Senge pp 1228–1237   DOI: 10.1021/ic301530t   Supporting Info

Synthetic, Crystallographic, and Computational Study of Copper(II) Complexes of Ethylenediaminetetracarboxylate Ligands Zoran D. Matović, Vesna D. Miletić, Marina Ćendić, Auke Meetsma, Petra J. van Koningsbruggen, and Robert J. Deeth pp 1238–1247   DOI: 10.1021/ic301609t   Supporting Info

Effects of Sequence, Connectivity, and Counter Ions in New Amide-Linked Ru(tpy)2–Re(bpy) Chromophores on Redox Chemistry and Photophysics Jan Dietrich, Ute Thorenz, Christoph Förster, and Katja Heinze pp 1248–1264   DOI: 10.1021/ic301632y   Supporting Info

Large Oxygen Nonstoichiometry in La0.77Sr3.23Co2.75C0.25O8.40+δ Oxide (δ = 0, 1.3) Related to n = 3 RP Series A. Demont, S. Hébert, J. Höwing, Y. Bréard, and D. Pelloquin pp 1265–1274   DOI: 10.1021/ic3017694   Supporting Info

Isolation and Crystallographic Characterization of Sm@C2v(3)-C80 Through Cocrystal Formation with NiII(octaethylporphyrin) or Bis(ethylenedithio)tetrathiafulvalene Hua Yang, Zhimin Wang, Hongxiao Jin, Bo Hong, Ziyang Liu, Christine M. Beavers, Marilyn M. Olmstead, and Alan L. Balch pp 1275–1284   DOI: 10.1021/ic301794r   Supporting Info

Electron Spin Density on the Axial His Ligand of High-Spin and Low-Spin Nitrophorin 2 Probed by Heteronuclear NMR Spectroscopy Luciano A. Abriata, María-Eugenia Zaballa, Robert E. Berry, Fei Yang, Hongjun Zhang, F. Ann Walker, and Alejandro J. Vila pp 1285–1295   DOI: 10.1021/ic301805y   Supporting Info

Turning on Single-Molecule Magnet Behavior in a Linear {Mn3} Compound Fatemah Habib, Gabriel Brunet, Francis Loiseau, Thushan Pathmalingam, Tara J. Burchell, André M. Beauchemin, Wolfgang Wernsdorfer, Rodolphe Clérac, and Muralee Murugesu pp 1296–1303   DOI: 10.1021/ic301820w   Supporting Info

Synthesis, Characterization, and Photophysics of Oxadiazole- and Diphenylaniline-Substituted Re(I) and Cu(I) Complexes Raphael Horvath, Michael G. Fraser, Scott A. Cameron, Allan G. Blackman, Pawel Wagner, David L. Officer, and Keith C. Gordon pp 1304–1317   DOI: 10.1021/ic3018387   Supporting Info

Ligand-Field and Ligand-Binding Analysis of the Active Site of Copper-Bound Aβ Associated with Alzheimer’s Disease Chandradeep Ghosh and Somdatta Ghosh Dey pp 1318–1327   DOI: 10.1021/ic301865n   Supporting Info

Rhombohedrally Distorted γ-Au5–xZn8+y Phases in the Au–Zn System Srinivasa Thimmaiah and Gordon J. Miller pp 1328–1337   DOI: 10.1021/ic301933a   Supporting Info

Mechanisms for the Reactions of Group 10 Transition Metal Complexes with Metal–Group 14 Element Bonds, Bbt(Br)E═M(PCy3)2 (E = C, Si, Ge, Sn, Pb; M = Pd and Pt) Wei-Hung Liao, Pei-Yun Ho, and Ming-Der Su pp 1338–1348   DOI: 10.1021/ic302031f   Supporting Info

Intense Turquoise and Green Colors in Brownmillerite-Type Oxides Based on Mn5+ in Ba2In2–xMnxO5+x Peng Jiang, Jun Li, A. Ozarowski, Arthur W. Sleight, and M. A. Subramanian pp 1349–1357   DOI: 10.1021/ic3020332   Supporting Info

Copper(I)-α-Synuclein Interaction: Structural Description of Two Independent and Competing Metal Binding Sites Francesca Camponeschi, Daniela Valensin, Isabella Tessari, Luigi Bubacco, Simone Dell’Acqua, Luigi Casella, Enrico Monzani, Elena Gaggelli, and Gianni Valensin pp 1358–1367   DOI: 10.1021/ic302050m   Supporting Info

Syntheses and Photophysical Investigations of Cr(III) Hexadentate Iminopyridine Complexes and Their Tris(Bidentate) Analogues Ashley M. McDaniel, Huan-Wei Tseng, Ethan A. Hill, Niels H. Damrauer, Anthony K. Rappé, and Matthew P. Shores pp 1368–1378   DOI: 10.1021/ic302055r   Supporting Info

Luminescent Zinc(II) Complexes of Fluorinated Benzothiazol-2-yl Substituted Phenoxide and Enolate Ligands Zhe Li, Ahmed Dellali, Jahangir Malik, Majid Motevalli, Roger M. Nix, Toyin Olukoya, Yu Peng, Huanqing Ye, William P. Gillin, Ignacio Hernández, and Peter B. Wyatt pp 1379–1387   DOI: 10.1021/ic302063u   Supporting Info

Bifunctional Mesoporous Zirconium Phosphonates for Delivery of Nucleic Acids Yan Tang, Yubao Ren, and Xin Shi pp 1388–1397   DOI: 10.1021/ic3020942   Supporting Info

Lanthanide Dinuclear Complexes Involving Tetrathiafulvalene-3-pyridine-N-oxide Ligand: Semiconductor Radical Salt, Magnetic, and Photophysical Studies Fabrice Pointillart, Boris Le Guennic, Olivier Maury, Stéphane Golhen, Olivier Cador, and Lahcène Ouahab pp 1398–1408   DOI: 10.1021/ic302095h   Supporting Info

π-Bonded Dithiolene Complexes: Synthesis, Molecular Structures, Electrochemical Behavior, and Density Functional Theory Calculations Aurélie Damas, Lise-Marie Chamoreau, Andrew L. Cooksy, Anny Jutand, and Hani Amouri pp 1409–1417   DOI: 10.1021/ic302128q   Supporting Info

Pressure-Dependent Increase in Tc and Magnetic Behavior of [Ru2(O2CBut)4]3[M(CN)6]·2H2O (M = Cr, Fe) Jack G. DaSilva and Joel S. Miller pp 1418–1423   DOI: 10.1021/ic302148s

Synthesis and Structural Characterization of Heteroboroxines with MB2O3 Core (M = Sb, Bi, Sn) Barbora Mairychová, Tomáš Svoboda, Petr Štěpnička, Aleš Růžička, Remco W. A. Havenith, Mercedes Alonso, Frank De Proft, Roman Jambor, and Libor Dostál pp 1424–1431   DOI: 10.1021/ic302153s   Supporting Info

Reactions of Acids with Naphthyridine-Functionalized Ferrocenes: Protonation and Metal Extrusion Nabanita Sadhukhan, Mithun Sarkar, Tapas Ghatak, S. M. Wahidur Rahaman, Leonard J. Barbour, and Jitendra K. Bera pp 1432–1442   DOI: 10.1021/ic302155e   Supporting Info

Second Sphere Control of Redox Catalysis: Selective Reduction of O2 to O2– or H2O by an Iron Porphyrin Catalyst Subhra Samanta, Kaustuv Mittra, Kushal Sengupta, Sudipta Chatterjee, and Abhishek Dey pp 1443–1453   DOI: 10.1021/ic3021782   Supporting Info

Unexpected Formation of Chiral Pincer CNN Nickel Complexes with β-Diketiminato Type Ligands via C–H Activation: Synthesis, Properties, Structures, and Computational Studies Zhengliang Lu, Srinivas Abbina, Jared R. Sabin, Victor N. Nemykin, and Guodong Du pp 1454–1465   DOI: 10.1021/ic3021904   Supporting Info

Phosphido-Borane and Phosphido-Bis(Borane) Complexes of the Alkali Metals, a Comparative Study Keith Izod, James M. Watson, William Clegg, and Ross W. Harrington pp 1466–1475   DOI: 10.1021/ic302205b   Supporting Info

Tuning of “Antenna Effect” of Eu(III) in Ternary Systems in Aqueous Medium through Binding with Protein Shyamal Kr Ghorai, Swarna Kamal Samanta, Manini Mukherjee, Pinki Saha Sardar, and Sanjib Ghosh pp 1476–1487   DOI: 10.1021/ic302218m

New Molybdenum(VI) Phosphates: Synthesis, Characterization, and Calculations of Centrosymmetric RbMoO2PO4 and Noncentrosymmetric Rb4Mo5P2O22 Ying Wang, Shilie Pan, Xin Su, Zhihua Yang, Lingyun Dong, and Min Zhang pp 1488–1495   DOI: 10.1021/ic302246c   Supporting Info

Synthesis of Small Tetranuclear Cu(I) Metallacycles Based on Bridging Pseudohalogenide Ions Volodymyr Vreshch, Brigitte Nohra, Christophe Lescop, and Régis Réau pp 1496–1503   DOI: 10.1021/ic3022535   Supporting Info

Role of Substitution at Terminal Nitrogen of 2-Oxo-1,2-dihydroquinoline-3-Carbaldehyde Thiosemicarbazones on the Coordination Behavior and Structure and Biological Properties of Their Palladium(II) Complexes Eswaran Ramachandran, Duraisamy Senthil Raja, Nigam. P. Rath, and Karuppannan Natarajan pp 1504–1514   DOI: 10.1021/ic302258k   Supporting Info

Molecular Structure, UV/Vis Spectra, and Cyclic Voltammograms of Mn(II), Co(II), and Zn(II) 5,10,15,20-Tetraphenyl-21-oxaporphyrins Silvio Stute, Linda Götzke, Dirk Meyer, Mohamed L. Merroun, Peter Rapta, Olga Kataeva, Wilhelm Seichter, Kerstin Gloe, Lothar Dunsch, and Karsten Gloe pp 1515–1524   DOI: 10.1021/ic302268h   Supporting Info

Low-Dimensional 3d–4f Complexes Assembled by Low-Spin [FeIII(phen)(CN)4]− Anions Diana Visinescu, Luminita Marilena Toma, Oscar Fabelo, Catalina Ruiz-Pérez, Francesc Lloret, and Miguel Julve pp 1525–1537   DOI: 10.1021/ic302278q   Supporting Info

The First Vanadate–Carbonate, K2Mn3(VO4)2(CO3): Crystal Structure and Physical Properties Olga V. Yakubovich, Ekaterina V. Yakovleva, Alexey N. Golovanov, Anatoly S. Volkov, Olga S. Volkova, Elena A. Zvereva, Olga V. Dimitrova, and Alexander N. Vasiliev pp 1538–1543   DOI: 10.1021/ic302333e   Supporting Info

Oxidative Addition Versus Substitution Reactions of Group 14 Dialkylamino Metalylenes with Pentafluoropyridine Prinson P. Samuel, Amit Pratap Singh, Sankaranarayana Pillai Sarish, Julia Matussek, Ina Objartel, Herbert W. Roesky, and Dietmar Stalke pp 1544–1549   DOI: 10.1021/ic302344a   Supporting Info

Structural Transformations and Disordering in Zirconolite (CaZrTi2O7) at High Pressure Ashkan Salamat, Paul F. McMillan, Steven Firth, Katherine Woodhead, Andrew L. Hector, Gaston Garbarino, Martin C. Stennett, and Neil C. Hyatt pp 1550–1558   DOI: 10.1021/ic302346g

Iron(III) Complexes with Meridional Ligands as Functional Models of Intradiol-Cleaving Catechol Dioxygenases Tünde Váradi, József S. Pap, Michel Giorgi, László Párkányi, Tamás Csay, Gábor Speier, and József Kaizer pp 1559–1569   DOI: 10.1021/ic302378r   Supporting Info

Base-Induced Dehydrogenation of Ruthenium Hydrazine Complexes Leslie D. Field, Hsiu L. Li, Scott J. Dalgarno, and Ruaraidh D. McIntosh pp 1570–1583   DOI: 10.1021/ic302449n   Supporting Info

Isolable, Copper(I) Dicarbonyl Complexes Supported by N-Heterocyclic Carbenes Chandrakanta Dash, Animesh Das, Muhammed Yousufuddin, and H. V. Rasika Dias pp 1584–1590   DOI: 10.1021/ic302455y   Supporting Info

Structural and Spectroscopic Characterization of 17- and 18-Electron Piano-Stool Complexes of Chromium. Thermochemical Analyses of Weak Cr–H Bonds Edwin F. van der Eide, Monte L. Helm, Eric D. Walter, and R. Morris Bullock pp 1591–1603   DOI: 10.1021/ic302460y   Supporting Info

Pd2+-Incorporated Perovskite CaPd3B4O12 (B = Ti, V) Kentaro Shiro, Ikuya Yamada, Naoya Ikeda, Kenya Ohgushi, Masaichiro Mizumaki, Ryoji Takahashi, Norimasa Nishiyama, Toru Inoue, and Tetsuo Irifune pp 1604–1609   DOI: 10.1021/ic3025155   Supporting Info

High Nuclearity Complexes of Lanthanide Involving Tetrathiafulvalene Ligands: Structural, Magnetic, and PhotoPhysical Properties Fabrice Pointillart, Boris Le Guennic, Stéphane Golhen, Olivier Cador, Olivier Maury, and Lahcène Ouahab pp 1610–1620   DOI: 10.1021/ic302532f   Supporting Info

Phenylcyanamidoruthenium Scorpionate Complexes Carmen Harb, Pavel Kravtsov, Mohommad Choudhuri, Eric R. Sirianni, Glenn P. A. Yap, A. B. P. Lever, and Robert J. Crutchley pp 1621–1630   DOI: 10.1021/ic302535h   Supporting Info

Insight into One-Electron Oxidation of the {Fe(NO)2}9 Dinitrosyl Iron Complex (DNIC): Aminyl Radical Stabilized by [Fe(NO)2] Motif Chih-Chin Tsou, Fu-Te Tsai, Huang-Yeh Chen, I-Jui Hsu, and Wen-Feng Liaw pp 1631–1639   DOI: 10.1021/ic302537d   Supporting Info

Coordination Polymers Containing Manganese(II)-Azido Layers Connected by Dipyridyl-tetrazine and 4,4′-Azobis(pyridine) Linkers Paramita Kar, Michael G. B. Drew, Carlos J. Gómez-García, and Ashutosh Ghosh pp 1640–1649   DOI: 10.1021/ic302548z   Supporting Info

The Trivalent Copper Complex of a Conjugated Bis-dithiocarbazate Schiff Base: Stabilization of Cu in Three Different Oxidation States Mohammad Akbar Ali, Paul V. Bernhardt, Mathilde A. H. Brax, Jason England, Anthony J. Farlow, Graeme R. Hanson, Lee Len Yeng, Aminul Huq Mirza, and Karl Wieghardt pp 1650–1657   DOI: 10.1021/ic302596h   Supporting Info

Bis[(E)-2,6-bis(1H-pyrazol-1-yl)-4-styrylpyridine]iron(II) Complex: Relationship between Thermal Spin Crossover and Crystal Solvent Yuta Hasegawa, Ryota Sakamoto, Kazuhiro Takahashi, and Hiroshi Nishihara pp 1658–1665   DOI: 10.1021/ic302640m   Supporting Info

Issue 04

Doubly Interpenetrated Chiral (10,3)-a Network with Charge-Transfer-Type Guest Inclusion Lei Han, Lan Qin, Lan-Ping Xu, and Wen-Na Zhao pp 1667–1669   DOI: 10.1021/ic301707h   Supporting Info

An Unprecedented Fe36 Phosphonate Cage Christine M. Beavers, Andrey V. Prosverin, John D. Cashion, Kim R. Dunbar, and Anne F. Richards pp 1670–1672   DOI: 10.1021/ic3020145   Supporting Info

Luminescent Triarylboron-Functionalized Zinc Carboxylate Metal–Organic Framework Barry A. Blight, Rémy Guillet-Nicolas, Freddy Kleitz, Rui-Yao Wang, and Suning Wang pp 1673–1675   DOI: 10.1021/ic3020223   Supporting Info

Sequential Photooxidation of a Pt(II) (Diimine)cysteamine Complex: Intermolecular Oxygen Atom Transfer versus Sulfinate Formation Dong Zhang, Ye Bin, Lorillee Tallorin, Florence Tse, Blanca Hernandez, Errol V. Mathias, Timothy Stewart, Robert Bau, and Matthias Selke pp 1676–1678   DOI: 10.1021/ic3020578   Supporting Info

In Situ Synthesis and Ferroelectric, SHG Response, and Luminescent Properties of a Novel 3D Acentric Zinc Coordination Polymer Yun-Zhi Tang, Man Zhou, Jun Huang, Yu-Hui Tan, Ji-si Wu, and He-Rui Wen pp 1679–1681   DOI: 10.1021/ic302411r   Supporting Info

Reactivity of a Mononuclear Iridium(I) Species Bearing a Terminal Phosphido Fragment Embedded in a Triphosphorus Ligand Yann Gloaguen, Wesley Jacobs, Bas de Bruin, Martin Lutz, and Jarl Ivar van der Vlugt pp 1682–1684   DOI: 10.1021/ic302301h   Supporting Info

Reduction of Carbon Dioxide Promoted by a Dinuclear Tantalum Tetrahydride Complex Joachim Ballmann, Fraser Pick, Ludovic Castro, Michael D. Fryzuk, and Laurent Maron pp 1685–1687   DOI: 10.1021/ic302438f   Supporting Info

Synthesis and Characterization of New Platinum(II) and Platinum(IV) Triphyrin Complexes Zhaoli Xue, Daiki Kuzuhara, Shinya Ikeda, Tetsuo Okujima, Shigeki Mori, Hidemitsu Uno, and Hiroko Yamada pp 1688–1690   DOI: 10.1021/ic302624h   Supporting Info

Silver(I) and Copper(I) Adducts of a Tris(pyrazolyl)borate Decorated with Nine Trifluoromethyl Groups Naleen B. Jayaratna, Igor I. Gerus, Roman V. Mironets, Pavel K. Mykhailiuk, Muhammed Yousufuddin, and H. V. Rasika Dias pp 1691–1693   DOI: 10.1021/ic302715d   Supporting Info

Discrete Nanomolecular Polyhedral Borane Scaffold Supporting Multiple Gadolinium(III) Complexes as a High Performance MRI Contrast Agent Lalit N. Goswami, Lixin Ma, Shatadru Chakravarty, Quanyu Cai, Satish S. Jalisatgi, and M. Frederick Hawthorne pp 1694–1700   DOI: 10.1021/ic3017613   Supporting Info

cRGD Peptide-Conjugated Icosahedral closo-B122- Core Carrying Multiple Gd3+-DOTA Chelates for αvβ3 Integrin-Targeted Tumor Imaging (MRI) Lalit N. Goswami, Lixin Ma, Quanyu Cai, Saurav J. Sarma, Satish S. Jalisatgi, and M. Frederick Hawthorne pp 1701–1709   DOI: 10.1021/ic302340c   Supporting Info

Chlorostannate(II) Ionic Liquids: Speciation, Lewis Acidity, and Oxidative Stability Matthew Currie, Julien Estager, Peter Licence, Shuang Men, Peter Nockemann, Kenneth R. Seddon, Małgorzata Swadźba-Kwaśny, and Cécile Terrade pp 1710–1721   DOI: 10.1021/ic300241p   Supporting Info

Synthesis of Cu2SnSe3 Nanocrystals for Solution Processable Photovoltaic Cells Mahshid Ahmadi, Stevin S. Pramana, Sudip K. Batabyal, Chris Boothroyd, Subodh G. Mhaisalkar, and Yeng Ming Lam pp 1722–1728   DOI: 10.1021/ic301141w   Supporting Info

Synthesis, Structural Characterization, and Electrical Properties of New Oxygen-Deficient Tetragonal Tungsten Bronzes Ba2NdTi2+xNb3–xO15–x/2 Marta Prades, Nahum Masó, Héctor Beltrán, Eloisa Cordoncillo, and Anthony R. West pp 1729–1736   DOI: 10.1021/ic301156c

Hemilabile β-Aminophosphine Ligands Derived from 1,3,5-Triaza-7-phosphaadamantane: Application in Aqueous Ruthenium Catalyzed Nitrile Hydration Wei-Chih Lee, Jeremiah M. Sears, Raphel A. Enow, Kelly Eads, Donald A. Krogstad, and Brian J. Frost pp 1737–1746   DOI: 10.1021/ic301160x   Supporting Info

Simulating the Pyrolysis of Polyazides: a Mechanistic Case Study of the [P(N3)6]− Anion Carmen Domene, Peter Portius, Patrick W. Fowler, and Leonardo Bernasconi pp 1747–1754   DOI: 10.1021/ic301178h   Supporting Info

New Family of Lanthanide-Based Inorganic–Organic Hybrid Frameworks: Ln2(OH)4[O3S(CH2)nSO3]·2H2O (Ln = La, Ce, Pr, Nd, Sm; n = 3, 4) and Their Derivatives Jianbo Liang, Renzhi Ma, Yasuo Ebina, Fengxia Geng, and Takayoshi Sasaki pp 1755–1761   DOI: 10.1021/ic301294j   Supporting Info

Electronic Structure of One-Electron-Oxidized Form of the Methylcobalamin Cofactor: Spin Density Distribution and Pseudo-Jahn–Teller Effect Neeraj Kumar, Jadwiga Kuta, Wlodzimierz Galezowski, and Pawel M. Kozlowski pp 1762–1771   DOI: 10.1021/ic3013443   Supporting Info

Revisited: Decomposition or Melting? Formation Mechanism Investigation of LiCoO2 via In-Situ Time-Resolved X-ray Diffraction Scott A. Wicker and Edwin H. Walker, Jr. pp 1772–1779   DOI: 10.1021/ic301516a

Titanium Complexes of Tridentate Aminebiphenolate Ligands Containing Distinct N-Alkyls: Profound N-Substituent Effect on Ring-Opening Polymerization Catalysis Lan-Chang Liang, Sheng-Ta Lin, and Chia-Cheng Chien pp 1780–1786   DOI: 10.1021/ic301551v   Supporting Info

Hydrogen Bonding and Proton Transfer to Ruthenium Hydride Complex CpRuH(dppe): Metal and Hydride Dichotomy Gleb A. Silantyev, Oleg A. Filippov, Peter M. Tolstoy, Natalia V. Belkova, Lina M. Epstein, Klaus Weisz, and Elena S. Shubina pp 1787–1797   DOI: 10.1021/ic301585k   Supporting Info

Tetranuclear Iron Complexes Bearing Benzenetetrathiolate Bridges as Four-Electron Transformation Templates and Their Electrocatalytic Properties for Proton Reduction Lin Chen, Mei Wang, Frederic Gloaguen, Dehua Zheng, Peili Zhang, and Licheng Sun pp 1798–1806   DOI: 10.1021/ic301647u   Supporting Info

[Sc2(μ-OH)2(H2O)6(NO3)2](NO3)2: Aqueous Synthesis and Characterization Wei Wang, I-Ya Chang, Lev Zakharov, Paul Ha-Yeon Cheong, and Douglas A. Keszler pp 1807–1811   DOI: 10.1021/ic301814z   Supporting Info

Iridium(III) Emitters Based on 1,4-Disubstituted-1H-1,2,3-triazoles as Cyclometalating Ligand: Synthesis, Characterization, and Electroluminescent Devices Jesús M. Fernández-Hernández, Juan I. Beltrán, Vincent Lemaur, Maria-Dolores Gálvez-López, Chen-Han Chien, Federico Polo, Enrico Orselli, Roland Fröhlich, Jérôme Cornil, and Luisa De Cola pp 1812–1824   DOI: 10.1021/ic3018419   Supporting Info

High-Temperature Spin Crossover Behavior in a Nitrogen-Rich FeIII-Based System Cyril Cook, Fatemah Habib, Tomoko Aharen, Rodolphe Clérac, Anguang Hu, and Muralee Murugesu pp 1825–1831   DOI: 10.1021/ic301864d   Supporting Info

Single-Step Preparation of the Mixed BaII–NbV Oxides from a Heteropolynuclear Oxalate Complex Marijana Jurić, Jasminka Popović, Ana Šantić, Krešimir Molčanov, Nevenka Brničević, and Pavica Planinić pp 1832–1842   DOI: 10.1021/ic301888p   Supporting Info

Silver Pyroarsonates Obtained from Ag(I)-Mediated in Situ Condensation of Aryl Arsonate Ligands under Solvothermal Conditions Xiang-Ying Qian, Jun-Ling Song, and Jiang-Gao Mao pp 1843–1853   DOI: 10.1021/ic301935g   Supporting Info

First Keto-Functionalized Microporous Al-Based Metal–Organic Framework: [Al(OH)(O2C-C6H4-CO-C6H4-CO2)] Helge Reinsch, Martin Krüger, Jerome Marrot, and Norbert Stock pp 1854–1859   DOI: 10.1021/ic301961q   Supporting Info

Characterization of an Amorphous Iridium Water-Oxidation Catalyst Electrodeposited from Organometallic Precursors James D. Blakemore, Michael W. Mara, Maxwell N. Kushner-Lenhoff, Nathan D. Schley, Steven J. Konezny, Ivan Rivalta, Christian F. A. Negre, Robert C. Snoeberger, Oleksandr Kokhan, Jier Huang, Andrew Stickrath, Lan Anh Tran, Maria L. Parr, Lin X. Chen, David M. Tiede, Victor S. Batista, Robert H. Crabtree, and Gary W. Brudvig pp 1860–1871   DOI: 10.1021/ic301968j   Supporting Info

Novel Trialkanolamine Derivatives of Tin of the Type [N(CH2CMe2O)2(CH2)nOSnOR]m (m = 1, 2; n = 2, 3; R = t-Bu, 2,6-Me2C6H3) and Related Tri- and Pentanuclear Tin(IV) Oxoclusters. Syntheses and Molecular Structures Thomas Zöller and Klaus Jurkschat pp 1872–1882   DOI: 10.1021/ic302042n   Supporting Info

Dual Role of Acetate as a Nucleophile and as an Internal Base in Cycloplatination Reaction of sym-N,N′,N″-Triarylguanidines Palani Elumalai, Natesan Thirupathi, and Munirathinam Nethaji pp 1883–1894   DOI: 10.1021/ic302058u   Supporting Info

New Quaternary Chalcogenides, Tl18Pb2M7Q25 (M = Ti, Zr, and Hf; Q = S and Se): Crystal Structure, Electronic Structure, and Electrical Transport Properties Cheriyedath Raj Sankar, Anna Becker, Abdeljalil Assoud, and Holger Kleinke pp 1895–1900   DOI: 10.1021/ic3020699   Supporting Info

H2 Binding and Splitting on a New-Generation [FeFe]-Hydrogenase Model Featuring a Redox-Active Decamethylferrocenyl Phosphine Ligand: A Theoretical Investigation Claudio Greco pp 1901–1908   DOI: 10.1021/ic302118h   Supporting Info

Construction of Cucurbit[7]uril Based Tubular Nanochannels Incorporating Associated [CdCl4]2- and Lanthanide Ions Li-Li Liang, Xin-Long Ni, Yi Zhao, Kai Chen, Xin Xiao, Yun-Qian Zhang, Carl Redshaw, Qian-Jiang Zhu, Sai-Feng Xue, and Zhu Tao pp 1909–1915   DOI: 10.1021/ic302145j   Supporting Info

Structural Consequences of the N7 and C8 Translocation on the Metal Binding Behavior of Adenine Alicia Domínguez-Martín, Duane Choquesillo-Lazarte, Jose A. Dobado, Henar Martínez-García, Luis Lezama, Josefa M. González-Pérez, Alfonso Castiñeiras, and Juan Niclós-Gutiérrez pp 1916–1925   DOI: 10.1021/ic302147u   Supporting Info

Indolenine meso-Substituted Dibenzotetraaza[14]annulene and Its Coordination Chemistry toward the Transition Metal Ions MnIII, FeIII, CoII, NiII, CuII, and PdII Hamid Khaledi, Marilyn M. Olmstead, Hapipah Mohd Ali, and Noel F. Thomas pp 1926–1941   DOI: 10.1021/ic302150j   Supporting Info

Synthesis and Reactivity of the Unsaturated Trinuclear Phosphanido Complex [(C6F5)2Pt(μ-PPh2)2Pt(μ-PPh2)2Pt(PPh3)] Juan Forniés, Consuelo Fortuño, Susana Ibáñez, Antonio Martín, Piero Mastrorilli, Vito Gallo, and Athanassios Tsipis pp 1942–1953   DOI: 10.1021/ic3021639   Supporting Info

Relevance of Thermal Effects in the Formation of Endohedral Metallofullerenes: The Case of Gd3N@Cs(39663)-C82 and Other Related Systems Marc Mulet-Gas, Antonio Rodríguez-Fortea, Luis Echegoyen, and Josep M. Poblet pp 1954–1959   DOI: 10.1021/ic302239e   Supporting Info

Cooperative Effects of Electron Donors and Acceptors for the Stabilization of Elusive Metal Cluster Frameworks: Synthesis and Solid-State Structures of [Pt19(CO)24(μ4-AuPPh3)3]− and [Pt19(CO)24{μ4-Au2(PPh3)2}2] Alessandro Ceriotti, Piero Macchi, Annalisa Sironi, Simona El Afefey, Matteo Daghetta, Serena Fedi, Fabrizia Fabrizi de Biani, and Roberto Della Pergola pp 1960–1964   DOI: 10.1021/ic302282y   Supporting Info

A New Family of Lanthanide Borate Halides with Unusual Coordination and a New Neodymium-Containing Cationic Framework Matthew J. Polinski, Evgeny V. Alekseev, Victoria R. Darling, Justin N. Cross, Wulf Depmeier, and Thomas E. Albrecht-Schmitt pp 1965–1975   DOI: 10.1021/ic302309z   Supporting Info

Lateral cis-1,3,5,7-Tetraazadecalin Podands and their Complexes: Synthesis, Structure, and Strong Binding with Pb(II) and Other Heavy Metal Ions Ofer Reany and Benzion Fuchs pp 1976–1990   DOI: 10.1021/ic3023166   Supporting Info

Synthetic, 119Sn NMR Spectroscopic, Electrochemical, and Reactivity Study of Organotin A3 Corrolates Including Chiral and Ferrocenyl Derivatives Olga G. Tsay, Byung-Kwon Kim, Tuong Loan Luu, Juhyoun Kwak, and David G. Churchill pp 1991–1999   DOI: 10.1021/ic302335c   Supporting Info

Resonance Raman and Electrocatalytic Behavior of Thiolate and Imidazole Bound Iron Porphyrin Complexes on Self Assembled Monolayers: Functional Modeling of Cytochrome P450 Kushal Sengupta, Sudipta Chatterjee, Subhra Samanta, Sabyasachi Bandyopadhyay, and Abhishek Dey pp 2000–2014   DOI: 10.1021/ic302369v   Supporting Info

Origin of Magnetization Reversal and Exchange Bias Phenomena in Solid Solutions of BiFeO3–BiMnO3: Intrinsic or Extrinsic? Alexei A. Belik pp 2015–2021   DOI: 10.1021/ic302384j   Supporting Info

K2FeGe3Se8: A New Antiferromagnetic Iron Selenide Kai Feng, Wendong Wang, Ran He, Lei Kang, Wenlong Yin, Zheshuai Lin, Jiyong Yao, Youguo Shi, and Yicheng Wu pp 2022–2028   DOI: 10.1021/ic302394e   Supporting Info

Synthesis, Magnetic Properties, and Phosphoesterase Activity of Dinuclear Cobalt(II) Complexes Lena J. Daumann, Peter Comba, James A. Larrabee, Gerhard Schenk, Robert Stranger, German Cavigliasso, and Lawrence R. Gahan pp 2029–2043   DOI: 10.1021/ic302418x   Supporting Info

pH-Responsive Dual Cargo Delivery from Mesoporous Silica Nanoparticles with a Metal-Latched Nanogate Derrick Tarn, Min Xue, and Jeffrey I. Zink pp 2044–2049   DOI: 10.1021/ic3024265   Supporting Info

Achiral and Chiral PNP-Pincer Ligands with a Carbazole Backbone: Coordination Chemistry with d8 Transition Metals Nora Grüger, Lara-Isabel Rodríguez, Hubert Wadepohl, and Lutz H. Gade pp 2050–2059   DOI: 10.1021/ic302454n   Supporting Info

Synthesis, Structures, and Luminescent Properties of Uranyl Terpyridine Aromatic Carboxylate Coordination Polymers Sonia G. Thangavelu, Michael B. Andrews, Simon J. A. Pope, and Christopher L. Cahill pp 2060–2069   DOI: 10.1021/ic3024698   Supporting Info

[Ag7(H){E2P(OR)2}6] (E = Se, S): Precursors for the Fabrication of Silver Nanoparticles C. W. Liu, Yan-Ru Lin, Ching-Shiang Fang, Camille Latouche, Samia Kahlal, and Jean-Yves Saillard pp 2070–2077   DOI: 10.1021/ic302482p   Supporting Info

Structural Characterization and Physical Properties of the New Transition Metal Oxyselenide La2O2ZnSe2 Andrew J. Tuxworth, Emma E. McCabe, David G. Free, Stewart J. Clark, and John S. O. Evans pp 2078–2085   DOI: 10.1021/ic302484x   Supporting Info

Sequential Picosecond Isomerizations in a Photochromic Ruthenium Sulfoxide Complex Triggered by Pump-Repump-Probe Spectroscopy Albert W. King, Yuhuan Jin, James T. Engle, Christopher J. Ziegler, and Jeffrey J. Rack pp 2086–2093   DOI: 10.1021/ic302489a   Supporting Info

Phosphide Oxides RE2AuP2O (RE = La, Ce, Pr, Nd): Synthesis, Structure, Chemical Bonding, Magnetism, and 31P and 139La Solid State NMR Timo Bartsch, Thomas Wiegand, Jinjun Ren, Hellmut Eckert, Dirk Johrendt, Oliver Niehaus, Matthias Eul, and Rainer Pöttgen pp 2094–2102   DOI: 10.1021/ic302475u   Supporting Info

Slow Magnetic Relaxation in Two New 1D/0D DyIII Complexes with a Sterically Hindered Carboxylate Ligand Sui-Jun Liu, Jiong-Peng Zhao, Wei-Chao Song, Song-De Han, Zhong-Yi Liu, and Xian-He Bu pp 2103–2109   DOI: 10.1021/ic302496g   Supporting Info

Synthesis and Characterization of a Redox-Active Bis(thiophenolato)amide Ligand, [SNS]3–, and the Homoleptic Tungsten Complexes, W[SNS]2 and W[ONO]2 David W. Shaffer, Géza Szigethy, Joseph W. Ziller, and Alan F. Heyduk pp 2110–2118   DOI: 10.1021/ic302506e   Supporting Info

Ambidentate Thiocyanate and Cyanate Ligands in Dinitrosyl Iron Complexes Chung-Hung Hsieh, Scott M. Brothers, Joseph H. Reibenspies, Michael B. Hall, Codrina V. Popescu, and Marcetta Y. Darensbourg pp 2119–2124   DOI: 10.1021/ic3025149   Supporting Info

Metal Ion Binding by a G-2 Poly(ethylene imine) Dendrimer. Ion-Directed Self-Assembling of Hierarchical Mono- and Two-Dimensional Nanostructured Materials Carla Bazzicalupi, Antonio Bianchi, Claudia Giorgi, Paola Gratteri, Palma Mariani, and Barbara Valtancoli pp 2125–2137   DOI: 10.1021/ic3025292   Supporting Info

High-Pressure Synthesis, Structure, and Photoluminescence of a New KSbO3-Type Bismuth Germanate Bi3Ge3O10.5 Jinguang Cheng, Alexander J. E. Rettie, Matthew R. Suchomel, Haidong Zhou, Jiaqiang Yan, Jie Song, Luke G. Marshall, Sebastian A. Larregola, Jianshi Zhou, and John B. Goodenough pp 2138–2141   DOI: 10.1021/ic3024277   Supporting Info

Long-Range Magnetic Ordering at 5.5 K for Cobalt(II)–Hydroxide Diamond Chains Isolated by 17 Å with α-Phenylcinnamate Yoshimi Oka, Katsuya Inoue, Hitoshi Kumagai, and Mohamedally Kurmoo pp 2142–2149   DOI: 10.1021/ic302540h   Supporting Info

Detailed Kinetics and Mechanism of the Oxidation of Thiocyanate Ion (SCN–) by Peroxomonosulfate Ion (HSO5–). Formation and Subsequent Oxidation of Hypothiocyanite Ion (OSCN–) József Kalmár, Gábor Lente, and István Fábián pp 2150–2156   DOI: 10.1021/ic302544y   Supporting Info

Implications of the Crystal Structure of the Ammonia Solvate [Au(NH3)2]Cl·4NH3 Lavinia M. Scherf, Sebastian A. Baer, Florian Kraus, Salem M. Bawaked, and Hubert Schmidbaur pp 2157–2161   DOI: 10.1021/ic302550q

Variable Magnetic Interactions between S = 1/2 Cation Radical Salts of Functionalizable Electron-Rich Dithiolene and Diselenolene Cp2Mo Complexes Talia Bsaibess, Michel Guerro, Yann Le Gal, Daad Sarraf, Nathalie Bellec, Marc Fourmigué, Frédéric Barrière, Vincent Dorcet, Thierry Guizouarn, Thierry Roisnel, and Dominique Lorcy pp 2162–2173   DOI: 10.1021/ic3025606   Supporting Info

Substituent and Noncovalent Interaction Effects in the Reactivity of Purine Derivatives with Tetracarboxylato-dirhodium(II) Units. Rationalization of a Rare Binding Mode via N3 Pilar Amo-Ochoa, Oscar Castillo, Ross W. Harrington, Félix Zamora, and Andrew Houlton pp 2174–2181   DOI: 10.1021/ic302602c   Supporting Info

Effects of Solvation on the Framework of a Breathing Copper MOF Employing a Semirigid Linker Christopher R. Murdock, Zheng Lu, and David M. Jenkins pp 2182–2187   DOI: 10.1021/ic3026304   Supporting Info

Bisdithiazolyl Radical Spin Ladders Kristina Lekin, Joanne W. L. Wong, Stephen M. Winter, Aaron Mailman, Paul A. Dube, and Richard T. Oakley pp 2188–2198   DOI: 10.1021/ic302658c   Supporting Info

Crystal Growth, Structural Characterization, and Magnetic Properties of New Uranium(IV) Containing Mixed Metal Oxalates: Na2U2M(C2O4)6(H2O)4 (M = Mn2+, Fe2+, Co2+, and Zn2+) Jeongho Yeon, Mark D. Smith, Athena S. Sefat, and Hans-Conrad zur Loye pp 2199–2207   DOI: 10.1021/ic3026733   Supporting Info

Homologous Series of Layered Perovskites An+1BnO3n–1Cl: Crystal and Magnetic Structure of a New Oxychloride Pb4BiFe4O11Cl Maria Batuk, Dmitry Batuk, Alexander A. Tsirlin, Marina G. Rozova, Evgeny V. Antipov, Joke Hadermann, and Gustaaf Van Tendeloo pp 2208–2218   DOI: 10.1021/ic302667a   Supporting Info

New Structure Type in the Mixed-Valent Compound YbCu4Ga8 Udumula Subbarao, Matthias J. Gutmann, and Sebastian C. Peter pp 2219–2227   DOI: 10.1021/ic302688n   Supporting Info

Ferromagnetic Dinuclear Mixed-Valence Mn(II)/Mn(III) Complexes: Building Blocks for the Higher Nuclearity Complexes. Structure, Magnetic Properties, and Density Functional Theory Calculations Mikko M. Hänninen, Juha Välivaara, Antonio J. Mota, Enrique Colacio, Francesc Lloret, and Reijo Sillanpää pp 2228–2241   DOI: 10.1021/ic302731z   Supporting Info

Electronic Structures of Homoleptic [Tris(2,2′-bipyridine)M]n Complexes of the Early Transition Metals (M = Sc, Y, Ti, Zr, Hf, V, Nb, Ta; n = 1+, 0, 1–, 2–, 3−): An Experimental and Density Functional Theoretical Study Amanda C. Bowman, Jason England, Stephen Sproules, Thomas Weyhermüller, and Karl Wieghardt pp 2242–2256   DOI: 10.1021/ic302799s   Supporting Info

Correction to Preface: Palladium Chemistry Relevant to Organic Synthesis James M. Mayer and Forrest E. Michael pp 2257–2257   DOI: 10.1021/ic700598t   Supporting Info

Issue 05

Coassembly between the Largest and Smallest Metal Chalcogenide Supertetrahedral Clusters Le Wang, Tao Wu, Xianhui Bu, Xiang Zhao, Fan Zuo, and Pingyun Feng pp 2259–2261   DOI: 10.1021/ic301965w   Supporting Info

Novel Triple-Decker Sandwich Complex with a Six-Membered [B3Co2(μ4-Te)] Ring as the Middle Deck Arunabha Thakur, Kiran Kumar Varma Chakrahari, Bijan Mondal, and Sundargopal Ghosh pp 2262–2264   DOI: 10.1021/ic3022358   Supporting Info

Three-Dimensional Zinc(II) and Cadmium(II) Coordination Frameworks with N,N,N′,N′-Tetrakis(pyridin-4-yl)methanediamine: Structure, Photoluminescence, and Catalysis Jong Won Shin, Jeong Mi Bae, Cheal Kim, and Kil Sik Min pp 2265–2267   DOI: 10.1021/ic302375z   Supporting Info

Ethylene Tri- and Tetramerization: a Steric Parameter Selectivity Switch from X-ray Crystallography and Computational Analysis Nicoline Cloete, Hendrik G. Visser, Ilana Engelbrecht, Matthew J. Overett, William F. Gabrielli, and Andreas Roodt pp 2268–2270   DOI: 10.1021/ic302578a   Supporting Info

Direct Synthesis of Ligand-Based Radicals by the Addition of Bipyridine to Chromium(II) Compounds Wen Zhou, Addison N. Desnoyer, James A. Bailey, Brian O. Patrick, and Kevin M. Smith pp 2271–2273   DOI: 10.1021/ic302590g   Supporting Info

Heteronuclear RuIIAgI Complexes Having a Pyrroloquinolinequinone Derivative as a Bridging Ligand Hiroumi Mitome, Tomoya Ishizuka, Yoshihiko Shiota, Kazunari Yoshizawa, and Takahiko Kojima pp 2274–2276   DOI: 10.1021/ic302617b   Supporting Info

Porphyrin-Substituted H-NOX Proteins as High-Relaxivity MRI Contrast Agents Michael B. Winter, Piper J. Klemm, Christine M. Phillips-Piro, Kenneth N. Raymond, and Michael A. Marletta pp 2277–2279   DOI: 10.1021/ic302685h   Supporting Info

Fabrication of Ruthenium Metal Nanosheets via Topotactic Metallization of Exfoliated Ruthenate Nanosheets Katsutoshi Fukuda, Jun Sato, Takahiro Saida, Wataru Sugimoto, Yasuo Ebina, Tatsuo Shibata, Minoru Osada, and Takayoshi Sasaki pp 2280–2282   DOI: 10.1021/ic302720d   Supporting Info

Heptacoordinated Nickel(II) as an Ising-Type Anisotropic Building Unit: Illustration with a Pentanuclear [(NiL)3{W(CN)8}2] Complex Nayanmoni Gogoi, Mehrez Thlijeni, Carine Duhayon, and Jean-Pascal Sutter pp 2283–2285   DOI: 10.1021/ic3027368   Supporting Info

Carbonate-Templated Self-Assembly of an Alkylthiolate-Bridged Cadmium Macrocycle Wei Lai, Steven M. Berry, William P. Kaplan, Malia S. Hain, John C. Poutsma, Raymond J. Butcher, Robert D. Pike, and Deborah C. Bebout pp 2286–2288   DOI: 10.1021/ic302740j   Supporting Info

Novel Hexanuclear Copper(II) Complex Built from a Simple Tetrachelating Triazole Ligand: Synthesis, Structure, and Magnetism J. Hernández-Gil, N. Ovèjak, S. Ferrer, F. Lloret, and A. Castiñeiras pp 2289–2291   DOI: 10.1021/ic3027946   Supporting Info

Synthesis, Structure, and Characterization of Dinuclear Copper(I) Halide Complexes with P^N Ligands Featuring Exciting Photoluminescence Properties Daniel M. Zink, Michael Bächle, Thomas Baumann, Martin Nieger, Michael Kühn, Cong Wang, Wim Klopper, Uwe Monkowius, Thomas Hofbeck, Hartmut Yersin, and Stefan Bräse pp 2292–2305   DOI: 10.1021/ic300979c   Supporting Info

Highly Sensitive and Selective Difunctional Ruthenium(II) Complex-Based Chemosensor for Dihydrogen Phosphate Anion and Ferrous Cation Ze-Bao Zheng, Zhi-Ming Duan, Ying-Ying Ma, and Ke-Zhi Wang pp 2306–2316   DOI: 10.1021/ic301555r   Supporting Info

Understanding Pd–Pd Bond Length Variation in (PNP)Pd–Pd(PNP) Dimers Justin R. Walensky, Claudia M. Fafard, Chengyun Guo, Christina M. Brammell, Bruce M. Foxman, Michael B. Hall, and Oleg V. Ozerov pp 2317–2322   DOI: 10.1021/ic301629m   Supporting Info

Synthesis and Properties of Arsenic(III)-Reactive Coumarin-Appended Benzothiazolines: A New Approach for Inorganic Arsenic Detection Vivian C. Ezeh and Todd C. Harrop pp 2323–2334   DOI: 10.1021/ic301730z   Supporting Info

Reduction and Protonation of Mo(IV) Imido Complexes with depe Coligands: Generation and Reactivity of a S = 1/2 Mo(III) Alkylnitrene Intermediate Ameli Dreher, Sven Meyer, Christian Näther, Anne Westphal, Henning Broda, Biprajit Sarkar, Wolfgang Kaim, Philipp Kurz, and Felix Tuczek pp 2335–2352   DOI: 10.1021/ic301828e   Supporting Info

A Porous 4-Fold-Interpenetrated Chiral Framework Exhibiting Vapochromism, Single-Crystal-to-Single-Crystal Solvent Exchange, Gas Sorption, and a Poisoning Effect Ming-Hua Zeng, Yan-Xi Tan, Yan-Ping He, Zheng Yin, Qing Chen, and Mohamedally Kurmoo pp 2353–2360   DOI: 10.1021/ic301857h   Supporting Info

Organometallic Oligomers Based on Bis(arylacetylide)bis(P-chirogenic phosphine)platinum(II) Complexes: Synthesis and Photonic Properties Antony Lapprand, Naïma Khiri, Daniel Fortin, Sylvain Jugé, and Pierre D. Harvey pp 2361–2371   DOI: 10.1021/ic301829x   Supporting Info

Electronic Structure and Spectroscopic Properties of Mononuclear Manganese(III) Schiff Base Complexes: A Systematic Study on [Mn(acen)X] Complexes by EPR, UV/vis, and MCD Spectroscopy (X = Hal, NCS) Anne Westphal, Arne Klinkebiel, Hans-Martin Berends, Henning Broda, Philipp Kurz, and Felix Tuczek pp 2372–2387   DOI: 10.1021/ic301889e   Supporting Info

On the Structure of α-BiFeO3 Hui Wang, Chengxu Yang, Jun Lu, Meimei Wu, Jie Su, Kuo Li, Junrong Zhang, Guobao Li, Tounan Jin, Takashi Kamiyama, Fuhui Liao, Jianhua Lin, and Yicheng Wu pp 2388–2392   DOI: 10.1021/ic302047z   Supporting Info

NMR Investigation of the Spontaneous Thermal- and/or Photoinduced Reduction of trans Dihydroxido Pt(IV) Derivatives Emanuele Petruzzella, Nicola Margiotta, Mauro Ravera, and Giovanni Natile pp 2393–2403   DOI: 10.1021/ic302100x   Supporting Info

Excess Heat Capacity in Liquid Binary Alkali-Fluoride Mixtures M. Beilmann, O. Beneš, E. Capelli, V. Reuscher, R. J. M. Konings, and Th. Fanghänel pp 2404–2411   DOI: 10.1021/ic302168g

Formation of a Metal-to-Nitrogen Bond of Normal Length by a Neutral Sufonamide Group within a Tridentate Ligand. A New Approach to Radiopharmaceutical Bioconjugation Theshini Perera, Pramuditha Abhayawardhana, Patricia A. Marzilli, Frank R. Fronczek, and Luigi G. Marzilli pp 2412–2421   DOI: 10.1021/ic302180t   Supporting Info

Effect of d-Amino Acid Substitutions on Ni(II)-Assisted Peptide Bond Hydrolysis Hanieh H. Ariani, Agnieszka Polkowska-Nowakowska, and Wojciech Bal pp 2422–2431   DOI: 10.1021/ic3022672   Supporting Info

New Structural Form of a Tetranuclear Lanthanide Hydroxo Cluster: Dy4 Analogue Display Slow Magnetic Relaxation Ananda Kumar Jami, Viswanathan Baskar, and E. Carolina Sañudo pp 2432–2438   DOI: 10.1021/ic3022886   Supporting Info

One-Pot Syntheses and Cell Imaging Applications of Poly(amino acid) Coated LaVO4:Eu3+ Luminescent Nanocrystals Huanjie Wang and Leyu Wang pp 2439–2445   DOI: 10.1021/ic302297u   Supporting Info

Synthesis of a Bis(indenyl) Co(I) Anion: A Reactive Source of a 14 Electron Indenyl Co(I) Equivalent Fernando Hung-Low and Christopher A. Bradley pp 2446–2457   DOI: 10.1021/ic302320w   Supporting Info

X2Y2 Isomers: Tuning Structure and Relative Stability through Electronegativity Differences (X = H, Li, Na, F, Cl, Br, I; Y = O, S, Se, Te) Majid El-Hamdi, Jordi Poater, F. Matthias Bickelhaupt, and Miquel Solà pp 2458–2465   DOI: 10.1021/ic3023503   Supporting Info

New Fluoride Carbonates: Centrosymmetric KPb2(CO3)2F and Noncentrosymmetric K2.70Pb5.15(CO3)5F3 T. Thao Tran and P. Shiv Halasyamani pp 2466–2473   DOI: 10.1021/ic302357h   Supporting Info

Gold(III) Porphyrins Containing Two, Three, or Four β,β′-Fused Quinoxalines. Synthesis, Electrochemistry, and Effect of Structure and Acidity on Electroreduction Mechanism Zhongping Ou, Tony Khoury, Yuanyuan Fang, Weihua Zhu, Paul J. Sintic, Maxwell J. Crossley, and Karl M. Kadish pp 2474–2483   DOI: 10.1021/ic302380z   Supporting Info

Manganese as a Substitute for Rhenium in CO2 Reduction Catalysts: The Importance of Acids Jonathan M. Smieja, Matthew D. Sampson, Kyle A. Grice, Eric E. Benson, Jesse D. Froehlich, and Clifford P. Kubiak pp 2484–2491   DOI: 10.1021/ic302391u   Supporting Info

Synthesis and Magnetic Properties of a New Borophosphate SrCo2BPO7 with a Four-Column Ribbon Structure Wenbin Gou, Zhangzhen He, Ming Yang, Weilong Zhang, and Wendan Cheng pp 2492–2496   DOI: 10.1021/ic3023979   Supporting Info

Removal of Mercury from the Environment: A Quantum-Chemical Study with the Normalized Elimination of the Small Component Method Wenli Zou, Michael Filatov, David Atwood, and Dieter Cremer pp 2497–2504   DOI: 10.1021/ic302444b   Supporting Info

Catalytic Water Oxidation by Mononuclear Ru Complexes with an Anionic Ancillary Ligand Lianpeng Tong, A. Ken Inge, Lele Duan, Lei Wang, Xiaodong Zou, and Licheng Sun pp 2505–2518   DOI: 10.1021/ic302446h   Supporting Info

High-Temperature X-ray Diffraction Study of Uranium–Neptunium Mixed Oxides Mélanie Chollet, Renaud C. Belin, Jean-Christophe Richaud, Muriel Reynaud, and Frédéric Adenot pp 2519–2525   DOI: 10.1021/ic302457m

Bimetallic Octahedral Ruthenium–Nickel Carbido Cluster Complexes. Synthesis and Structural Characterization Sumit Saha, Lei Zhu, and Burjor Captain pp 2526–2532   DOI: 10.1021/ic302470w   Supporting Info

Diglycolamide-Functionalized Calix[4]arenes Showing Unusual Complexation of Actinide Ions in Room Temperature Ionic Liquids: Role of Ligand Structure, Radiolytic Stability, Emission Spectroscopy, and Thermodynamic Studies Prasanta K. Mohapatra, Arijit Sengupta, Mudassir Iqbal, Jurriaan Huskens, and Willem Verboom pp 2533–2541   DOI: 10.1021/ic302497k   Supporting Info

Argentivorous Molecules Bearing Two Aromatic Side-Arms: Ag+–π and CH−π Interactions in the Solid State and in Solution Yoichi Habata, Aya Taniguchi, Mari Ikeda, Takao Hiraoka, Noriko Matsuyama, Sakiko Otsuka, and Shunsuke Kuwahara pp 2542–2549   DOI: 10.1021/ic302511e   Supporting Info

Facile Growth of Thermochromic VO2 Nanostructures with Greatly Varied Phases and Morphologies Ying-Ting Wang and Chun-Hua Chen pp 2550–2555   DOI: 10.1021/ic302562j

Heterometallic Cerium(IV) Perrhenate, Permanganate, and Molybdate Complexes Supported by the Imidodiphosphinate Ligand [N(i-Pr2PO)2]− Guo-Cang Wang, Herman H. Y. Sung, Feng-Rong Dai, Wai-Hang Chiu, Wai-Yeung Wong, Ian D. Williams, and Wa-Hung Leung pp 2556–2563   DOI: 10.1021/ic302567e   Supporting Info

Guanidinato Complexes of Iridium: Ligand-Donor Strength, O2 Reactivity, and (Alkene)peroxoiridium(III) Intermediates Matthew R. Kelley and Jan-Uwe Rohde pp 2564–2580   DOI: 10.1021/ic302570s   Supporting Info

Self-Assembly of Three-Dimensional SrTiO3 Microscale Superstructures and Their Photonic Effect Xiaoliang Yuan, Maojun Zheng, Yafeng Zhang, Tao Zhou, Changli Li, Xiaosheng Fang, Li Ma, and Wenzhong Shen pp 2581–2587   DOI: 10.1021/ic302585g   Supporting Info

Syntheses, Structures, and Magnetic Properties of a Family of Heterometallic Heptanuclear [Cu5Ln2] (Ln = Y(III), Lu(III), Dy(III), Ho(III), Er(III), and Yb(III)) Complexes: Observation of SMM behavior for the Dy(III) and Ho(III) Analogues Vadapalli Chandrasekhar, Atanu Dey, Sourav Das, Mathieu Rouzières, and Rodolphe Clérac pp 2588–2598   DOI: 10.1021/ic302614k   Supporting Info

Copper(II) Thiaethyneporphyrin and Copper(II) 21-Phosphoryl N-confused Porphyrin Hybrids. Intramolecular Copper(II)–Carbon Interaction Inside of a Porphyrinoid Surrounding Norbert Grzegorzek, Elżbieta Nojman, Ludmiła Szterenberg, and Lechosław Latos-Grażyński pp 2599–2606   DOI: 10.1021/ic302631d   Supporting Info

Synthesis and Structural Analysis of (Imido)Vanadium(V) Complexes Containing Chelate (Anilido)Methyl-imine Ligands: Ligand Effect in Ethylene Dimerization Kotohiro Nomura, Atsushi Igarashi, Shohei Katao, Wenjuan Zhang, and Wen-Hua Sun pp 2607–2614   DOI: 10.1021/ic302633y   Supporting Info

Thermal Response, Catalytic Activity, and Color Change of the First Hybrid Vanadate Containing Bpe Guest Molecules Roberto Fernández de Luis, M. Karmele Urtiaga, José L. Mesa, Edurne S. Larrea, Marta Iglesias, Teófilo Rojo, and María I. Arriortua pp 2615–2626   DOI: 10.1021/ic302662x   Supporting Info

Factors Affecting the Carboxylate Shift Upon Formation of Nonheme Diiron-O2 Adducts Jonathan R. Frisch, Ryan McDonnell, Elena V. Rybak-Akimova, and Lawrence Que, Jr. pp 2627–2636   DOI: 10.1021/ic302543n   Supporting Info

Synthesis, Structure, and Characterization of Two New Polar Sodium Tungsten Selenites: Na2(WO3)3(SeO3)·2H2O and Na6(W6O19)(SeO3)2 Sau Doan Nguyen and P. Shiv Halasyamani pp 2637–2647   DOI: 10.1021/ic3026705   Supporting Info

Synthesis and Disordered Crystal Structure of Al3O3.5C0.5 Toru Asaka, Ryosuke Kotani, Tatsunari Kudo, Hideto Yoshida, and Koichiro Fukuda pp 2648–2653   DOI: 10.1021/ic302674g   Supporting Info

Step-by-Step Introduction of Silazane Moieties at Ruthenium: Different Extents of Ru–H–Si Bond Activation Katharine A. Smart, Mary Grellier, Laure Vendier, Sax A. Mason, Silvia C. Capelli, Alberto Albinati, and Sylviane Sabo-Etienne pp 2654–2661   DOI: 10.1021/ic302682f   Supporting Info

Synthesis and Structural Characterization of Inorganic-Organic-Inorganic Hybrids of Dipalladium-Substituted γ-Keggin Silicodecatungstates Tomohisa Hirano, Kazuhiro Uehara, Sayaka Uchida, Mitsuhiro Hibino, Keigo Kamata, and Noritaka Mizuno pp 2662–2670   DOI: 10.1021/ic302703k   Supporting Info

Antiferromagnetic Spin Correlations Between Corner-Shared [FeO5]7– and [FeO6]9– Units, in the Novel Iron-Based Compound: BaYFeO4 Friederike Wrobel, Moureen C. Kemei, and Shahab Derakhshan pp 2671–2677   DOI: 10.1021/ic301040d   Supporting Info

Structural Diversity in Alkali Metal Complexes of Sterically Demanding Carbazol-9-yl Ligands Rhiannon S. Moorhouse, Graeme J. Moxey, Fabrizio Ortu, Thomas J. Reade, William Lewis, Alexander J. Blake, and Deborah L. Kays pp 2678–2683   DOI: 10.1021/ic302727w   Supporting Info

Comparative Insight into Electronic Properties and Reactivities toward C–H Bond Activation by Iron(IV)–Nitrido, Iron(IV)–Oxo, and Iron(IV)–Sulfido Complexes: A Theoretical Investigation Hao Tang, Jia Guan, Huiling Liu, and Xuri Huang pp 2684–2696   DOI: 10.1021/ic302766f   Supporting Info

Cluster Chemistry in Electron-Poor Ae–Pt–Cd Systems (Ae = Ca, Sr, Ba): (Sr,Ba)Pt2Cd4, Ca6Pt8Cd16, and Its Known Antitype Er6Pd16Sb8 Saroj L. Samal, Fakhili Gulo, and John D. Corbett pp 2697–2704   DOI: 10.1021/ic302767b   Supporting Info

Cancer Cell Cytotoxicity of Cyclometalated Compounds Obtained with Osmium(II) Complexes Bastien Boff, Christian Gaiddon, and Michel Pfeffer pp 2705–2715   DOI: 10.1021/ic302779q   Supporting Info

Influence of Terminal Acryloyl Arms on the Coordination Chemistry of a Ditopic Pyrimidine–Hydrazone Ligand: Comparison of Pb(II), Zn(II), Cu(II), and Ag(I) Complexes Daniel J. Hutchinson, Lyall R. Hanton, and Stephen C. Moratti pp 2716–2728   DOI: 10.1021/ic3027978   Supporting Info

Macrocyclization of the ATCUN Motif Controls Metal Binding and Catalysis Kosh P. Neupane, Amanda R. Aldous, and Joshua A. Kritzer pp 2729–2735   DOI: 10.1021/ic302820z   Supporting Info

Syntheses and Structures of a Series of Uranyl Phosphonates and Sulfonates: An Insight into Their Correlations and Discrepancies Weiting Yang, Tao Tian, Hong-Yue Wu, Qing-Jiang Pan, Song Dang, and Zhong-Ming Sun pp 2736–2743   DOI: 10.1021/ic302847g   Supporting Info

Metal–Organic Frameworks as Hosts for Photochromic Guest Molecules D. Hermann, H. Emerich, R. Lepski, D. Schaniel, and U. Ruschewitz pp 2744–2749   DOI: 10.1021/ic302856b   Supporting Info

Complexation of U(VI) with Dipicolinic Acid: Thermodynamics and Coordination Modes Chao Xu, Guoxin Tian, Simon J. Teat, and Linfeng Rao pp 2750–2756   DOI: 10.1021/ic4000389   Supporting Info

Kinetics of Reduction of Aqueous Hexaammineruthenium(III) Ion at Pt and Au Microelectrodes: Electrolyte, Temperature, and Pressure Effects Vijendran Vijaikanth, Guangchun Li, and Thomas W. Swaddle pp 2757–2768   DOI: 10.1021/ic400062b   Supporting Info

Density Functional Theory Calculations of UO2 Oxidation: Evolution of UO2+x, U4O9–y, U3O7, and U3O8 D. A. Andersson, G. Baldinozzi, L. Desgranges, D. R. Conradson, and S. D. Conradson pp 2769–2778   DOI: 10.1021/ic400118p   Supporting Info

Lanthanide-Porphyrin Hybrids: from Layered Structures to Metal–Organic Frameworks with Photophysical Properties Jan Demel, Pavel Kubát, Franck Millange, Jérôme Marrot, Ivana Císařová, and Kamil Lang pp 2779–2786   DOI: 10.1021/ic400182u   Supporting Info

Issue 06

Solid-State Structural Transformations of Two AgI Supramolecular Polymorphs to Another Polymer upon Absorption of HNO3 Vapors Kamran Akhbari and Ali Morsali pp 2787–2789   DOI: 10.1021/ic3008415   Supporting Info

Gallium Analogue of Soluble Prussian Blue KGa[Fe(CN)6]·nH2O: Synthesis, Characterization, and Potential Biomedical Applications Murthi S. Kandanapitiye, Benjamin Valley, Liu D. Yang, Allyson M. Fry, Patrick M. Woodward, and Songping D. Huang pp 2790–2792   DOI: 10.1021/ic302262g   Supporting Info

Preparation of Telluro- and Selenoalumoxanes under Mild Conditions Sandra González-Gallardo, Aracely S. Cruz-Zavala, Vojtech Jancik, Fernando Cortés-Guzmán, and Mónica Moya-Cabrera pp 2793–2795   DOI: 10.1021/ic302588f   Supporting Info

Modular Synthesis of Alkyne-Substituted Ruthenium Polypyridyl Complexes Suitable for “Click” Coupling James B. Gerken, Matthew L. Rigsby, Rose E. Ruther, Riviam J. Pérez-Rodríguez, Ilia A. Guzei, Robert J. Hamers, and Shannon S. Stahl pp 2796–2798   DOI: 10.1021/ic302827s   Supporting Info

Cation Sensing by a Luminescent Metal–Organic Framework with Multiple Lewis Basic Sites Qun Tang, Shuxia Liu, Yiwei Liu, Jun Miao, Shujun Li, Li Zhang, Zhan Shi, and Zhiping Zheng pp 2799–2801   DOI: 10.1021/ic400029p   Supporting Info

Bis(oxazolinyl)phenyl-Ligated Rare-Earth-Metal Complexes: Highly Regioselective Catalysts for cis-1,4-Polymerization of Isoprene Yu Pan, Tieqi Xu, Guan-Wen Yang, Kun Jin, and Xiao-Bing Lu pp 2802–2808   DOI: 10.1021/ic300976p   Supporting Info

Lithium-Stuffed Diamond Polytype Zn–Tt Structures (Tt = Sn, Ge): The Two Lithium–Zinc–Tetrelides Li3Zn2Sn4 and Li2ZnGe3 Saskia Stegmaier and Thomas. F. Fässler pp 2809–2816   DOI: 10.1021/ic3011037   Supporting Info

Manganese-Based Layered Coordination Polymer: Synthesis, Structural Characterization, Magnetic Property, and Electrochemical Performance in Lithium-Ion Batteries Qi Liu, Lili Yu, Ying Wang, Yunzhou Ji, Josip Horvat, Mei-Ling Cheng, Xiaoyan Jia, and Guoxiu Wang pp 2817–2822   DOI: 10.1021/ic301579g   Supporting Info

Expanded Porous MOF-505 Analogue Exhibiting Large Hydrogen Storage Capacity and Selective Carbon Dioxide Adsorption Baishu Zheng, Ruirui Yun, Junfeng Bai, Zhiyong Lu, Liting Du, and Yizhi Li pp 2823–2829   DOI: 10.1021/ic301598n   Supporting Info

X-ray Absorption Spectroscopy of a Quantitatively Mo(V) Dimethyl Sulfoxide Reductase Species M. Jake Pushie, Julien J. H. Cotelesage, Ganna Lyashenko, Russ Hille, and Graham N. George pp 2830–2837   DOI: 10.1021/ic301660e

Molecules with High Bond Orders and Ultrashort Bond Lengths: CrU, MoU, and WU Fernando Ruipérez, Gabriel Merino, Jesus M. Ugalde, and Ivan Infante pp 2838–2843   DOI: 10.1021/ic301657c   Supporting Info

Unexpected Electronic Process of H2 Activation by a New Nickel Borane Complex: Comparison with the Usual Homolytic and Heterolytic Activations Guixiang Zeng and Shigeyoshi Sakaki pp 2844–2853   DOI: 10.1021/ic301733r   Supporting Info

γ-Cyclodextrin Cuprate Sandwich-Type Complexes Abdulaziz A. Bagabas, Marco Frasconi, Julien Iehl, Brad Hauser, Omar K. Farha, Joseph T. Hupp, Karel J. Hartlieb, Youssry Y. Botros, and J. Fraser Stoddart pp 2854–2861   DOI: 10.1021/ic301795j   Supporting Info

Tuning the Structure and Magnetism of Heterometallic Sodium(1+)–Cobalt(2+) Formate Coordination Polymers by Varying the Metal Ratio and Solvents Jiong-Peng Zhao, Song-De Han, Ran Zhao, Qian Yang, Ze Chang, and Xian-He Bu pp 2862–2869   DOI: 10.1021/ic301936k   Supporting Info

Azo Complexes of Osmium(II): Preparation and Reactivity of Organic Azide and Hydrazine Derivatives Gabriele Albertin, Stefano Antoniutti, Laura Bonaldo, Alessandra Botter, and Jesús Castro pp 2870–2879   DOI: 10.1021/ic302483e   Supporting Info

Synthesis, Structure, Spectroscopic Characterization, and Protein Binding Affinity of New Water-Soluble Hetero- and Homometallic Tetranuclear [CuII2ZnII2] and [CuII4] Clusters Ayan Patra, Tamal K. Sen, Atanu Ghorai, Ghezai T. Musie, Swadhin K. Mandal, Utpal Ghosh, and Manindranath Bera pp 2880–2890   DOI: 10.1021/ic302099y   Supporting Info

Influence of Halogen Bonding Interaction on Supramolecular Assembly of Coordination Compounds; Head-to-Tail N···X Synthon Repetitivity Hamid Reza Khavasi and Alireza Azhdari Tehrani pp 2891–2905   DOI: 10.1021/ic3021113   Supporting Info

Communication between Remote Moieties in Linear Ru–Ru–Ru Trimetallic Cyanide-Bridged Complexes German E. Pieslinger, Pablo Albores, Leonardo D. Slep, Benjamin J. Coe, Cliff J. Timpson, and Luis M. Baraldo pp 2906–2917   DOI: 10.1021/ic302173g   Supporting Info

p-Carborane-Bridged Bipyridine Ligands for Energy Transfer between Two Iridium Centers M. Teresa Indelli, Thomas Bura, and Raymond Ziessel pp 2918–2926   DOI: 10.1021/ic302222q   Supporting Info

Decarbonylative Halogenation by a Vanadium Complex Sujoy Rana, Rameezul Haque, Ganji Santosh, and Debabrata Maiti pp 2927–2932   DOI: 10.1021/ic302611a   Supporting Info

Preparation of Primary Amine Derivatives of the Magic-Size Nanocluster (CdSe)13 Yuanyuan Wang, Yi-Hsin Liu, Ying Zhang, Paul J. Kowalski, Henry W. Rohrs, and William E. Buhro pp 2933–2938   DOI: 10.1021/ic302327p   Supporting Info

pH-Controlled Coordination Mode Rearrangements of “Clickable” Huisgen-Based Multidentate Ligands with [MI(CO)3]+ (M = Re, 99mTc) Shalina C. Bottorff, Adam L. Moore, Ariana R. Wemple, Dejan-Krešimir Bučar, Leonard R. MacGillivray, and Paul D. Benny pp 2939–2950   DOI: 10.1021/ic302330u   Supporting Info

Solvent-Induced Structural Dynamics in Noninterpenetrating Porous Coordination Polymeric Networks Raghavender Medishetty, Daram Jung, Xiaokai Song, Dongwook Kim, Shim Sung Lee, Myoung Soo Lah, and Jagadese J. Vittal pp 2951–2957   DOI: 10.1021/ic302334x   Supporting Info

Covalent Grafting of Organic–Inorganic Polyoxometalates Hybrids onto Mesoporous SBA-15: A Key Step for New Anchored Homogeneous Catalysts Richard Villanneau, Asma Marzouk, Yan Wang, Aicha Ben Djamaa, Guillaume Laugel, Anna Proust, and Franck Launay pp 2958–2965   DOI: 10.1021/ic302374v   Supporting Info

Role of Cation Interactions in the Reduction Process in Plutonium–Americium Mixed Oxides Renaud C. Belin, Philippe M. Martin, Jacques Lechelle, Muriel Reynaud, and Andreas C. Scheinost pp 2966–2972   DOI: 10.1021/ic3023776

Mercury Bismuth Chalcohalides, Hg3Q2Bi2Cl8 (Q = S, Se, Te): Syntheses, Crystal Structures, Band Structures, and Optical Properties Arief C. Wibowo, Christos D. Malliakas, Duck Young Chung, Jino Im, Arthur J. Freeman, and Mercouri G. Kanatzidis pp 2973–2979   DOI: 10.1021/ic3023826   Supporting Info

Heteroleptic Cu(I) Bis-diimine Complexes of 6,6′-Dimesityl-2,2′-bipyridine: A Structural, Theoretical and Spectroscopic Study Michael G. Fraser, Holly van der Salm, Scott A. Cameron, Allan G. Blackman, and Keith C. Gordon pp 2980–2992   DOI: 10.1021/ic302393p   Supporting Info

Peptide Models of Cu(I) and Zn(II) Metallochaperones: The Effect of pH on Coordination and Mechanistic Implications Michal S. Shoshan, Deborah E. Shalev, and Edit Y. Tshuva pp 2993–3000   DOI: 10.1021/ic302404w   Supporting Info

Ruthenium(II) Complexes Bearing a Naphthalimide Fragment: A Modular Dye Platform for the Dye-Sensitized Solar Cell Dmitry V. Pogozhev, Máté J. Bezdek, Phil A. Schauer, and Curtis P. Berlinguette pp 3001–3006   DOI: 10.1021/ic3024524   Supporting Info

Tunable Color of Ce3+/Tb3+/Mn2+-Coactivated CaScAlSiO6 via Energy Transfer: A Single-Component Red/White-Emitting Phosphor Wei Lü, Ning Guo, Yongchao Jia, Qi Zhao, Wenzhen Lv, Mengmeng Jiao, Baiqi Shao, and Hongpeng You pp 3007–3012   DOI: 10.1021/ic3024666

Magnetic Ordering in Tetragonal 3d Metal Arsenides M2As (M = Cr, Mn, Fe): An Ab Initio Investigation Yuemei Zhang, Jakoah Brgoch, and Gordon J. Miller pp 3013–3021   DOI: 10.1021/ic3024716   Supporting Info

Synthesis, Structure, and Reactivity of an Anionic Zr–Oxo Relevant to CO2 Reduction by a Zr/Co Heterobimetallic Complex Jeremy P. Krogman, Mark W. Bezpalko, Bruce M. Foxman, and Christine M. Thomas pp 3022–3031   DOI: 10.1021/ic302473j   Supporting Info

Oxo–Mo(IV)(dithiolene)thiolato Complexes: Analogue of Reduced Sulfite Oxidase Joyee Mitra and Sabyasachi Sarkar pp 3032–3042   DOI: 10.1021/ic302485c   Supporting Info

Low Oxidation State Iron(0), Iron(I), and Ruthenium(0) Dinitrogen Complexes with a Very Bulky Neutral Phosphine Ligand Ryan Gilbert-Wilson, Leslie D. Field, Stephen B. Colbran, and Mohan M. Bhadbhade pp 3043–3053   DOI: 10.1021/ic3024953   Supporting Info

Stable Plumbylene Dichalcogenolate Monomers with Large Differences in Their Interligand Angles and the Synthesis and Characterization of a Monothiolato Pb(II) Bromide and Lithium Trithiolato Plumbate Brian D. Rekken, Thomas M. Brown, Marilyn M. Olmstead, James C. Fettinger, and Philip P. Power pp 3054–3062   DOI: 10.1021/ic302513c   Supporting Info

Synthesis, Lanthanide Coordination Chemistry, and Liquid–Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms Daniel Rosario-Amorin, Sabrina Ouizem, Diane A. Dickie, Yufeng Wen, Robert T. Paine, Jian Gao, John K. Grey, Ana de Bettencourt-Dias, Benjamin P. Hay, and Lætitia H. Delmau pp 3063–3083   DOI: 10.1021/ic3025342   Supporting Info

Copper(II) Complexes of Tetradentate Pyridyl Ligands Supported on Keggin Polyoxometalates: Single-Crystal to Single-Crystal Transformations Promoted by Reversible Dehydration Processes Amaia Iturrospe, Beñat Artetxe, Santiago Reinoso, Leire San Felices, Pablo Vitoria, Luis Lezama, and Juan M. Gutiérrez-Zorrilla pp 3084–3093   DOI: 10.1021/ic302499f   Supporting Info

Effects of Proton Acceptors on Formation of a Non-Heme Iron(IV)–Oxo Complex via Proton-Coupled Electron Transfer Yusuke Nishida, Yuma Morimoto, Yong-Min Lee, Wonwoo Nam, and Shunichi Fukuzumi pp 3094–3101   DOI: 10.1021/ic302573x   Supporting Info

Luminescence and Energy Transfer Properties of Ca2Ba3(PO4)3Cl and Ca2Ba3(PO4)3Cl:A (A = Eu2+/Ce3+/Dy3+/Tb3+) under UV and Low-Voltage Electron Beam Excitation Mengmeng Shang, Dongling Geng, Dongmei Yang, Xiaojiao Kang, Yang Zhang, and Jun Lin pp 3102–3112   DOI: 10.1021/ic3025759   Supporting Info

Reactions of a Cyclodimethylsiloxane (Me2SiO)6 with Silver Salts of Weakly Coordinating Anions; Crystal Structures of [Ag(Me2SiO)6][Al] ([Al] = [FAl{OC(CF3)3}3], [Al{OC(CF3)3}4]) and Their Comparison with [Ag(18-Crown-6)]2[SbF6]2 T. Stanley Cameron, Andreas Decken, Ingo Krossing, Jack Passmore, J. Mikko Rautiainen, Xinping Wang, and Xiaoqing Zeng pp 3113–3126   DOI: 10.1021/ic3025793   Supporting Info

Construction of a Polyhedral Metal–Organic Framework via a Flexible Octacarboxylate Ligand for Gas Adsorption and Separation Zu-Jin Lin, Yuan-Biao Huang, Tian-Fu Liu, Xiang-Ying Li, and Rong Cao pp 3127–3132   DOI: 10.1021/ic302583a   Supporting Info

Methylenediphosphonotetrathioate: Synthesis, Characterization, and Chemical Properties Aviran Amir, Alon Haim Sayer, Alon Ezra, and Bilha Fischer pp 3133–3140   DOI: 10.1021/ic3026057   Supporting Info

Facile Synthesis of Graphene/Metal Nanoparticle Composites via Self-Catalysis Reduction at Room Temperature Qiqi Zhuo, Yanyun Ma, Jing Gao, Pingping Zhang, Yujian Xia, Yiming Tian, Xiuxiao Sun, Jun Zhong, and Xuhui Sun pp 3141–3147   DOI: 10.1021/ic302608g   Supporting Info

Quaternary Arsenides AM1.5Tt0.5As2 (A = Na, K, Rb; M = Zn, Cd; Tt = Si, Ge, Sn): Size Effects in CaAl2Si2- and ThCr2Si2-Type Structures Mansura Khatun, Stanislav S. Stoyko, and Arthur Mar pp 3148–3158   DOI: 10.1021/ic302627n   Supporting Info

Iron in a Trigonal Tris(alkoxide) Ligand Environment Matthew B. Chambers, Stanislav Groysman, Dino Villagrán, and Daniel G. Nocera pp 3159–3169   DOI: 10.1021/ic302634q   Supporting Info

Effects of Imidazole Deprotonation on Vibrational Spectra of High-Spin Iron(II) Porphyrinates Chuanjiang Hu, Qian Peng, Nathan J. Silvernail, Alexander Barabanschikov, Jiyong Zhao, E. Ercan Alp, Wolfgang Sturhahn, J. Timothy Sage, and W. Robert Scheidt pp 3170–3177   DOI: 10.1021/ic3026396   Supporting Info

The Modulated Structure of Co3Al4Si2: Incommensurability and Co–Co Interactions in Search of Filled Octadecets Rie T. Fredrickson and Daniel C. Fredrickson pp 3178–3189   DOI: 10.1021/ic302650r   Supporting Info

Improving the Efficiency of the Photoinduced Charge-Separation Process in a Rhenium(I)–Zinc Porphyrin Dyad by Simple Chemical Functionalization Teresa Gatti, Paolo Cavigli, Ennio Zangrando, Elisabetta Iengo, Claudio Chiorboli, and Maria Teresa Indelli pp 3190–3197   DOI: 10.1021/ic302663c   Supporting Info

Synthesis, Structure, and Properties of Ln2Ru3Al15 (Ln = Ce, Gd): Comparison with LnRu2Al10 and CeRu4(Al,Si)15.58 Gregory Morrison, Neel Haldolaarachchige, Chih-Wei Chen, David P. Young, Emilia Morosan, and Julia Y. Chan pp 3198–3206   DOI: 10.1021/ic302693n   Supporting Info

Nitric Oxide Release from a Nickel Nitrosyl Complex Induced by One-Electron Oxidation Ashley M. Wright, Homaira T. Zaman, Guang Wu, and Trevor W. Hayton pp 3207–3216   DOI: 10.1021/ic302697v   Supporting Info

Solid-State and Solution-State Coordination Chemistry of Lanthanide(III) Complexes with (Pyrazol-1-yl)acetic Acid Xiao-Yan Chen, George S. Goff, Brian L. Scott, Michael T. Janicke, and Wolfgang Runde pp 3217–3224   DOI: 10.1021/ic302696m   Supporting Info

Cd(II)-Coordination Framework: Synthesis, Anion-Induced Structural Transformation, Anion-Responsive Luminescence, and Anion Separation Shan Hou, Qi-Kui Liu, Jian-Ping Ma, and Yu-Bin Dong pp 3225–3235   DOI: 10.1021/ic302716n   Supporting Info

By Design: A Macrocyclic 3d–4f Single-Molecule Magnet with Quantifiable Zero-Field Slow Relaxation of Magnetization Humphrey L. C. Feltham, Rodolphe Clérac, Liviu Ungur, Liviu F. Chibotaru, Annie K. Powell, and Sally Brooker pp 3236–3240   DOI: 10.1021/ic302735j   Supporting Info

Electrochemical and Spectroscopic Investigation of Ln3+ (Ln = Sm, Eu, and Yb) Solvation in Bis(trifluoromethylsulfonyl)imide-Based Ionic Liquids and Coordination by N,N,N′,N′-Tetraoctyl-3-oxa-pentane Diamide (TODGA) and Chloride Yunfeng Pan and Charles L. Hussey pp 3241–3252   DOI: 10.1021/ic3027557

(C4N2H12)3[Ln3(OH)(SO4)7] (Ln = Sm, Eu, and Tb): A Series of Honeycomb-like Open-Framework Lanthanide Sulfates with Extra-Large Channels Containing 24-Membered Rings Deng Zhang, Yun Lu, Dunru Zhu, and Yan Xu pp 3253–3258   DOI: 10.1021/ic3027682   Supporting Info

Photo-initiated Thiol-ene Click Reactions as a Potential Strategy for Incorporation of [MI(CO)3]+ (M = Re, 99mTc) Complexes Thomas R. Hayes, Patrice A. Lyon, Elsa Silva-Lopez, Brendan Twamley, and Paul D. Benny pp 3259–3267   DOI: 10.1021/ic302771f   Supporting Info

1H and 17O NMR Relaxometric and Computational Study on Macrocyclic Mn(II) Complexes Gabriele A. Rolla, Carlos Platas-Iglesias, Mauro Botta, Lorenzo Tei, and Lothar Helm pp 3268–3279   DOI: 10.1021/ic302785m   Supporting Info

Antimonato Polyoxovanadate Based Three-Dimensional Framework Exhibiting Ferromagnetic Exchange Interactions: Synthesis, Structural Characterization, and Magnetic Investigation of {[Fe(C6H14N2)2]3[V15Sb6O42(H2O)]}·8H2O Adam Wutkowski, Christian Näther, Paul Kögerler, and W. Bensch pp 3280–3284   DOI: 10.1021/ic302788w   Supporting Info

Detection of Nitric Oxide and Nitroxyl with Benzoresorufin-Based Fluorescent Sensors Ulf-Peter Apfel, Daniela Buccella, Justin J. Wilson, and Stephen J. Lippard pp 3285–3294   DOI: 10.1021/ic302793w   Supporting Info

C–C Bond Formation and Related Reactions at the CNC Backbone in (smif)FeX (smif = 1,3-Di-(2-pyridyl)-2-azaallyl): Dimerizations, 3 + 2 Cyclization, and Nucleophilic Attack; Transfer Hydrogenations and Alkyne Trimerization (X = N(TMS)2, dpma = (Di-(2-pyridyl-methyl)-amide)) Brenda A. Frazier, Valerie A. Williams, Peter T. Wolczanski, Suzanne C. Bart, Karsten Meyer, Thomas R. Cundari, and Emil B. Lobkovsky pp 3295–3312   DOI: 10.1021/ic302783y   Supporting Info

Li/X Phosphinidenoid Pentacarbonylmetal Complexes: A Combined Experimental and Theoretical Study on Structures and Spectroscopic Properties Rainer Streubel, Aysel Özbolat-Schön, Gerd von Frantzius, Holly Lee, Gregor Schnakenburg, and Dietrich Gudat pp 3313–3325   DOI: 10.1021/ic302786v   Supporting Info

Robust Dirac-Cone Band Structure in the Molecular Kagome Compound (EDT-TTF-CONH2)6[Re6Se8(CN)6] Sandra Carlsson, Leokadiya Zorina, David R. Allan, J. Paul Attfield, Enric Canadell, and Patrick Batail pp 3326–3333   DOI: 10.1021/ic302790m   Supporting Info

Neutron Diffraction Study of the Li-Ion Battery Cathode Li2FeP2O7 Prabeer Barpanda, Gwenaëlle Rousse, Tian Ye, Chris D. Ling, Zakiah Mohamed, Yannick Klein, and Atsuo Yamada pp 3334–3341   DOI: 10.1021/ic302816w

Flux Growth and Magnetoresistance Behavior of Rare Earth Zintl Phase EuMgSn Xiaowei Ma, Jun Lu, Jeffrey B. Whalen, and Susan E. Latturner pp 3342–3348   DOI: 10.1021/ic302828p   Supporting Info

Relationship between the Electron Density of the Heme Fe Atom and the Vibrational Frequencies of the Fe-Bound Carbon Monoxide in Myoglobin Ryu Nishimura, Tomokazu Shibata, Hulin Tai, Izumi Ishigami, Takashi Ogura, Satoshi Nagao, Takashi Matsuo, Shun Hirota, Kiyohiro Imai, Saburo Neya, Akihiro Suzuki, and Yasuhiko Yamamoto pp 3349–3355   DOI: 10.1021/ic3028447   Supporting Info

Geometric and Electronic Structures of Manganese-Substituted Iron Superoxide Dismutase Timothy A. Jackson, Craig T. Gutman, James Maliekal, Anne-Frances Miller, and Thomas C. Brunold pp 3356–3367   DOI: 10.1021/ic302867y   Supporting Info

Gd–Sc-Based Mixed-Metal Nitride Cluster Fullerenes: Mutual Influence of the Cage and Cluster Size and the Role of Scandium in the Electronic Structure Anna L. Svitova, Alexey A. Popov, and Lothar Dunsch pp 3368–3380   DOI: 10.1021/ic400049k   Supporting Info

Cobalt Corrole Catalyst for Efficient Hydrogen Evolution Reaction from H2O under Ambient Conditions: Reactivity, Spectroscopy, and Density Functional Theory Calculations Biswajit Mondal, Kushal Sengupta, Atanu Rana, Atif Mahammed, Mark Botoshansky, Somdatta Ghosh Dey, Zeev Gross, and Abhishek Dey pp 3381–3387   DOI: 10.1021/ic4000473   Supporting Info

Topochemical Fluorination of Sr3(M0.5Ru0.5)2O7 (M = Ti, Mn, Fe), n = 2, Ruddlesden–Popper Phases Fabio Denis Romero, Paul A. Bingham, Susan D. Forder, and Michael A. Hayward pp 3388–3398   DOI: 10.1021/ic400125x   Supporting Info

Correction to Changes in Electronic Properties of Polymeric One-Dimensional {[M(CN)]−}n (M = Au, Ag) Chains Due to Neighboring Closed-Shell Zn(II) or Open-Shell Cu(II) Ions François Baril-Robert, Xiaobo Li, Michael J. Katz, Andrew R. Geisheimer, Daniel B. Leznoff, and Howard Patterson pp 3399–3399   DOI: 10.1021/ic400131c

Correction to Photophysical Properties of {[Au(CN)2]−}2 Dimers Trapped in a Supramolecular Electron-Acceptor Organic Framework Ahmed S. Abouelwafa, Christopher E. Anson, Andreas Hauser, Howard H. Patterson, François Baril-Robert, Xiaobo Li, and Annie K. Powell pp 3400–3400   DOI: 10.1021/ic4001335

Correction to Copper(I) Thiocyanate-Amine Networks: Synthesis, Structure, and Luminescence Behavior Kayla M. Miller, Shannon M. McCullough, Elena A. Lepekhina, Isabelle J. Thibau, Robert D. Pike, Xiaobo Li, James P. Killarney, and Howard H. Patterson pp 3401–3401   DOI: 10.1021/ic4001347

Correction to Optical Memory and Multistep Luminescence Thermochromism in Single Crystals of K2Na[Ag(CN)2]3 Mohammad A. Omary, Julie Clarissa F. Colis, C. L. Larochelle, and Howard H. Patterson pp 3402–3402   DOI: 10.1021/ic400135a

Correction to Copper(I) Cyanide Networks: Synthesis, Structure, and Luminescence Behavior. Part 2. Piperazine Ligands and Hexamethylenetetramine Mi Jung Lim, Courtney A. Murray, Tristan A. Tronic, Kathryn E. deKrafft, Amanda N. Ley, Jordan C. deButts, Robert D. Pike, Haiyan Lu, and Howard H. Patterson pp 3403–3403   DOI: 10.1021/ic4001363

Correction to Observation of a Mixed-Metal Transition in Heterobimetallic Au/Ag Dicyanide Systems Samanthika R. Hettiarachchi, Brian K. Schaefer, Renante L. Yson, Richard J. Staples, Regine Herbst-Irmer, and Howard H. Patterson pp 3404–3404   DOI: 10.1021/ic400137g

Issue 07

Preface: Forum on Aspects of Inorganic Chemistry Related to Nuclear Energy John C. Gordon, Kenneth Czerwinski, and Lynn Francesconi pp 3405–3406   DOI: 10.1021/ic4006136

Does Covalency Increase or Decrease across the Actinide Series? Implications for Minor Actinide Partitioning Nikolas Kaltsoyannis pp 3407–3413   DOI: 10.1021/ic3006025

Use of Soft Heterocyclic N-Donor Ligands To Separate Actinides and Lanthanides Michael J. Hudson, Laurence M. Harwood, Dominic M. Laventine, and Frank W. Lewis pp 3414–3428   DOI: 10.1021/ic3008848   Supporting Info

Lanthanide Speciation in Potential SANEX and GANEX Actinide/Lanthanide Separations Using Tetra-N-Donor Extractants Daniel M. Whittaker, Tamara L. Griffiths, Madeleine Helliwell, Adam N. Swinburne, Louise S. Natrajan, Frank W. Lewis, Laurence M. Harwood, Stephen A. Parry, and Clint A. Sharrad pp 3429–3444   DOI: 10.1021/ic301599y   Supporting Info

Coordination Chemistry with f-Element Complexes for an Improved Understanding of Factors That Contribute to Extraction Selectivity Anne E. V. Gorden, Michael A. DeVore, II, and Branson A. Maynard pp 3445–3458   DOI: 10.1021/ic300887p

Actinide Chemistry in Ionic Liquids Koichiro Takao, Thomas James Bell, and Yasuhisa Ikeda pp 3459–3472   DOI: 10.1021/ic300807v   Supporting Info

A Case for Molecular Recognition in Nuclear Separations: Sulfate Separation from Nuclear Wastes Bruce A. Moyer, Radu Custelcean, Benjamin P. Hay, Jonathan L. Sessler, Kristin Bowman-James, Victor W. Day, and Sung-Ok Kang pp 3473–3490   DOI: 10.1021/ic3016832

Reducing Uncertainties Affecting the Assessment of the Long-Term Corrosion Behavior of Spent Nuclear Fuel Thomas Fanghänel, Vincenzo V. Rondinella, Jean-Paul Glatz, Thierry Wiss, Detlef H. Wegen, Thomas Gouder, Paul Carbol, Daniel Serrano-Purroy, and Dimitrios Papaioannou pp 3491–3509   DOI: 10.1021/ic302012c   Supporting Info

Environmental Speciation of Actinides Kate Maher, John R. Bargar, and Gordon E. Brown, Jr. pp 3510–3532   DOI: 10.1021/ic301686d

Plutonium Transport in the Environment Annie B. Kersting pp 3533–3546   DOI: 10.1021/ic3018908

Chemical Speciation of Neptunium(VI) under Strongly Alkaline Conditions. Structure, Composition, and Oxo Ligand Exchange David L. Clark, Steven D. Conradson, Robert J. Donohoe, Pamela L. Gordon, D. Webster Keogh, Phillip D. Palmer, Brian L. Scott, and C. Drew Tait pp 3547–3555   DOI: 10.1021/ic3020139   Supporting Info

In Pursuit of Homoleptic Actinide Alkyl Complexes Lani A. Seaman, Justin R. Walensky, Guang Wu, and Trevor W. Hayton pp 3556–3564   DOI: 10.1021/ic300867m   Supporting Info

Density Functional Theory and X-ray Analysis of the Structural Variability in η5,η5,η1-Tris(ring) Rare Earth/Actinide Tetramethylpyrrolyl Complexes, (C5Me5)2M(NC4Me4) Christopher L. Webster, Jefferson E. Bates, Ming Fang, Joseph W. Ziller, Filipp Furche, and William J. Evans pp 3565–3572   DOI: 10.1021/ic300905r   Supporting Info

Technetium Chemistry in the Fuel Cycle: Combining Basic and Applied Studies Frederic Poineau, Edward Mausolf, Gordon D. Jarvinen, Alfred P. Sattelberger, and Kenneth R. Czerwinski pp 3573–3578   DOI: 10.1021/ic3016468

Synthesis, Structure, and H2/CO2 Adsorption in a Three-Dimensional 4-Connected Triorganotin Coordination Polymer with a sqc Topology Vadapalli Chandrasekhar, Chandrajeet Mohapatra, Rahul Banerjee, and Arijit Mallick pp 3579–3581   DOI: 10.1021/ic302528b   Supporting Info

Europium Pyrimidine-4,6-dicarboxylate Framework with a Single-Crystal-to-Single-Crystal Transition and a Reversible Dehydration/Rehydration Process Hao-Ling Sun, Dan-Dan Yin, Qi Chen, and Zhenqiang Wang pp 3582–3584   DOI: 10.1021/ic302556r   Supporting Info

Unexpected Formation of Ru2Sn2 Bicyclic Four-Membered Ring Complexes with Butterfly and Inverse-Sandwich Structures Takuya Kuwabara, Masaichi Saito, Jing-Dong Guo, and Shigeru Nagase pp 3585–3587   DOI: 10.1021/ic302782n   Supporting Info

Azide-Functionalized Lanthanide-Based Metal–Organic Frameworks Showing Selective CO2 Gas Adsorption and Postsynthetic Cavity Expansion Sumi Ganguly, Pradip Pachfule, Sukhen Bala, Arijit Goswami, Sudeshna Bhattacharya, and Raju Mondal pp 3588–3590   DOI: 10.1021/ic302823r   Supporting Info

Mononuclear Ruthenium–Water Oxidation Catalysts: Discerning between Electronic and Hydrogen-Bonding Effects Somnath Maji, Isidoro López, Fernando Bozoglian, J. Benet-Buchholz, and Antoni Llobet pp 3591–3593   DOI: 10.1021/ic3028176   Supporting Info

Second-Coordination-Sphere Effects Increase the Catalytic Efficiency of an Extended Model for FeIIIMII Purple Acid Phosphatases Bernardo de Souza, Gabriel L. Kreft, Tiago Bortolotto, Hernán Terenzi, Adailton J. Bortoluzzi, Eduardo E. Castellano, Rosely A. Peralta, Josiel B. Domingos, and Ademir Neves pp 3594–3596   DOI: 10.1021/ic400025j   Supporting Info

Aromatic Difluoroboron β-Diketonate Complexes: Effects of π-Conjugation and Media on Optical Properties Songpan Xu, Ruffin E. Evans, Tiandong Liu, Guoqing Zhang, J. N. Demas, Carl O. Trindle, and Cassandra L. Fraser pp 3597–3610   DOI: 10.1021/ic300077g   Supporting Info

Cs7Nd11(SeO3)12Cl16: First Noncentrosymmetric Structure among Alkaline-Metal Lanthanide Selenite Halides Peter S. Berdonosov, Lev Akselrud, Yurii Prots, Artem M. Abakumov, Philippe F. Smet, Dirk Poelman, Gustaaf. Van Tendeloo, and Valery A. Dolgikh pp 3611–3619   DOI: 10.1021/ic301442f   Supporting Info

Four Metalloporphyrinic Frameworks as Heterogeneous Catalysts for Selective Oxidation and Aldol Reaction Chao Zou, Tianfu Zhang, Ming-Hua Xie, Lijun Yan, Guo-Qiang Kong, Xiu-Li Yang, An Ma, and Chuan-De Wu pp 3620–3626   DOI: 10.1021/ic3019502   Supporting Info

Rhodamine-Based Fluorescent Probe for Al3+ through Time-Dependent PET–CHEF–FRET Processes and Its Cell Staining Application Animesh Sahana, Arnab Banerjee, Sisir Lohar, Bidisha Sarkar, Subhra Kanti Mukhopadhyay, and Debasis Das pp 3627–3633   DOI: 10.1021/ic3019953   Supporting Info

Pore Design of Two-Dimensional Coordination Polymers toward Selective Adsorption Yuh Hijikata, Satoshi Horike, Masayuki Sugimoto, Munehiro Inukai, Tomohiro Fukushima, and Susumu Kitagawa pp 3634–3642   DOI: 10.1021/ic302006x   Supporting Info

pH-Dependent Reduction Potentials and Proton-Coupled Electron Transfer Mechanisms in Hydrogen-Producing Nickel Molecular Electrocatalysts Samantha Horvath, Laura E. Fernandez, Aaron M. Appel, and Sharon Hammes-Schiffer pp 3643–3652   DOI: 10.1021/ic302056j   Supporting Info

Manganese Salen Complexes with Acid–Base Catalytic Auxiliary: Functional Mimetics of Catalase Yukinobu Noritake, Naoki Umezawa, Nobuki Kato, and Tsunehiko Higuchi pp 3653–3662   DOI: 10.1021/ic302101c   Supporting Info

Sky-Blue Luminescent AuI–AgI Alkynyl-Phosphine Clusters Igor O. Koshevoy, Antti J. Karttunen, Ilya S. Kritchenkou, Dmitrii V. Krupenya, Stanislav I. Selivanov, Alexei S. Melnikov, Sergey P. Tunik, Matti Haukka, and Tapani A. Pakkanen pp 3663–3673   DOI: 10.1021/ic302105a   Supporting Info

χ and σ Phases in Binary Rhenium–Transition Metal Systems: a Systematic First-Principles Investigation Jean-Claude Crivello, Abedalhasan Breidi, and Jean-Marc Joubert pp 3674–3686   DOI: 10.1021/ic302142w   Supporting Info

DNA Binding and Anti-Cancer Activity of Redox-Active Heteroleptic Piano-Stool Ru(II), Rh(III), and Ir(III) Complexes Containing 4-(2-Methoxypyridyl)phenyldipyrromethene Rakesh Kumar Gupta, Rampal Pandey, Gunjan Sharma, Ritika Prasad, Biplob Koch, Saripella Srikrishna, Pei-Zhou Li, Qiang Xu, and Daya Shankar Pandey pp 3687–3698   DOI: 10.1021/ic302196v   Supporting Info

Experimental and Computational Study on the Structure and Properties of Herz Cations and Radicals: 1,2,3-Benzodithiazolium, 1,2,3-Benzodithiazolyl, and Their Se Congeners Alexander Yu. Makarov, Frank Blockhuys, Irina Yu. Bagryanskaya, Yuri V. Gatilov, Makhmut M. Shakirov, and Andrey V. Zibarev pp 3699–3710   DOI: 10.1021/ic302203t   Supporting Info

Apparent Anti-Woodward–Hoffmann Addition to a Nickel Bis(dithiolene) Complex: The Reaction Mechanism Involves Reduced, Dimetallic Intermediates Li Dang, Mohamed F. Shibl, Xinzheng Yang, Daniel J. Harrison, Aiman Alak, Alan J. Lough, Ulrich Fekl, Edward N. Brothers, and Michael B. Hall pp 3711–3723   DOI: 10.1021/ic302236u   Supporting Info

Acentric Polyborate, Li3[B8O12(OH)3], with a New Type of Anionic Layer and Li Atoms in the Cavities Elena L. Belokoneva and Olga V. Dimitrova pp 3724–3727   DOI: 10.1021/ic302230z

Understanding the Solution Behavior of Minor Actinides in the Presence of EDTA4–, Carbonate, and Hydroxide Ligands Tamara L. Griffiths, Leigh R. Martin, Peter R. Zalupski, John Rawcliffe, Mark J. Sarsfield, Nick D. M. Evans, and Clint A. Sharrad pp 3728–3737   DOI: 10.1021/ic302260a   Supporting Info

Synthesis and Chirality Control of Bulk Crystals and Nanocrystals: From a Right-Handed Nonpolar Chain to a Left-Handed Polar Chain Yan-Yan Yin, Yan-Li Zhao, Jian-Gong Ma, Xiao-Chang Cao, and Peng Cheng pp 3738–3743   DOI: 10.1021/ic302711b   Supporting Info

Morphology, Microstructure, and Magnetic Properties of Ordered Large-Pore Mesoporous Cadmium Ferrite Thin Film Spin Glasses Christian Reitz, Christian Suchomski, Venkata Sai Kiran Chakravadhanula, Igor Djerdj, Zvonko Jagličić, and Torsten Brezesinski pp 3744–3754   DOI: 10.1021/ic302283q   Supporting Info

Europium(III) Tetrakis(β-diketonate) Complex as an Ionic Liquid: A Calorimetric and Spectroscopic Study Cláudia C. L. Pereira, Sofia Dias, Isabel Coutinho, J. P. Leal, Luís C. Branco, and César A. T. Laia pp 3755–3764   DOI: 10.1021/ic3023024   Supporting Info

New Cu(I)-Ethylene Complexes Based on Tridentate Imine Ligands: Synthesis and Structure Parisa Ebrahimpour, Mairi F. Haddow, and Duncan F. Wass pp 3765–3771   DOI: 10.1021/ic302325u   Supporting Info

Reversible Solid State Redox of an Octacyanometallate-Bridged Coordination Polymer by Electrochemical Ion Insertion/Extraction Masashi Okubo, Koichi Kagesawa, Yoshifumi Mizuno, Daisuke Asakura, Eiji Hosono, Tetsuichi Kudo, Haoshen Zhou, Kotaro Fujii, Hidehiro Uekusa, Shin-ichi Nishimura, Atsuo Yamada, Atsushi Okazawa, and Norimichi Kojima pp 3772–3779   DOI: 10.1021/ic302364d   Supporting Info

Thiacalix[4]arene-Supported Kite-Like Heterometallic Tetranuclear ZnIILnIII3 (Ln = Gd, Tb, Dy, Ho) Complexes Kongzhao Su, Feilong Jiang, Jinjie Qian, Mingyan Wu, Kecai Xiong, Yanli Gai, and Maochun Hong pp 3780–3786   DOI: 10.1021/ic302367q   Supporting Info

Phase Characterization, Thermal Stability, High-Temperature Transport Properties, and Electronic Structure of Rare-Earth Zintl Phosphides Eu3M2P4 (M = Ga, In) Tanghong Yi, Gaigong Zhang, Naohito Tsujii, Jean-Pierre Fleurial, Alex Zevalkink, G. Jeffrey Snyder, Niels Grønbech-Jensen, and Susan M. Kauzlarich pp 3787–3794   DOI: 10.1021/ic302400q   Supporting Info

1:1:1 Triple-Cation B-Site-Ordered and Oxygen-Deficient Perovskite Ca4GaNbO8: A Member of a Family of Anion-Vacancy-Based Cation-Ordered Complex Perovskites Tao Yang, John B. Claridge, and Matthew J. Rosseinsky pp 3795–3802   DOI: 10.1021/ic302414u   Supporting Info

Structure and Nature of Manganese(II) Imidazole Complexes in Frozen Aqueous Solutions Sun Un pp 3803–3813   DOI: 10.1021/ic302415s   Supporting Info

A Series of Inorganic Solid Nitrogen Sources for the Synthesis of Metal Nitride Clusterfullerenes: The Dependence of Production Yield on the Oxidation State of Nitrogen and Counter Ion Fupin Liu, Jian Guan, Tao Wei, Song Wang, Mingzhi Jiao, and Shangfeng Yang pp 3814–3822   DOI: 10.1021/ic302436k   Supporting Info

Direct Determination of Equilibrium Potentials for Hydrogen Oxidation/Production by Open Circuit Potential Measurements in Acetonitrile John A. S. Roberts and R. Morris Bullock pp 3823–3835   DOI: 10.1021/ic302461q   Supporting Info

Hydroflux Crystal Growth of Platinum Group Metal Hydroxides: Sr6NaPd2(OH)17, Li2Pt(OH)6, Na2Pt(OH)6, Sr2Pt(OH)8, and Ba2Pt(OH)8 Daniel E. Bugaris, Mark D. Smith, and Hans-Conrad zur Loye pp 3836–3844   DOI: 10.1021/ic302439b   Supporting Info

[Fe(nsal2trien)]SCN, a New Two-Step Iron(III) Spin Crossover Compound, with Symmetry Breaking Spin-State Transition and an Intermediate Ordered State Bruno J. C. Vieira, Joana T. Coutinho, Isabel C. Santos, Laura C. J. Pereira, João C. Waerenborgh, and Vasco da Gama pp 3845–3850   DOI: 10.1021/ic302533b   Supporting Info

Synthesis, Structural and Magnetic Properties of Ternary Complexes of (Me4P+)·{[Fe(I)Pc(−2)]−}·Triptycene and (Me4P+)·{[Fe(I)Pc(−2)]−}·(N,N,N′,N′-Tetrabenzyl-p-phenylenediamine)0.5 with Iron(I) Phthalocyanine Anions Dmitri V. Konarev, Manabu Ishikawa, Salavat S. Khasanov, Akihiro Otsuka, Hideki Yamochi, Gunzi Saito, and Rimma N. Lyubovskaya pp 3851–3859   DOI: 10.1021/ic3025364   Supporting Info

A Theoretical Analysis of Supported Quintuple and Quadruple Chromium–Chromium Bonds Sylvester Ndambuki and Tom Ziegler pp 3860–3869   DOI: 10.1021/ic302569c

Disorder–Order Transformation and Significant Dislocation Motion Cooperating with a Surprisingly Large Hysteretic Magnetic Transition in a Nickel–Bisdithiolene Spin System Hai-Bao Duan, Xuan-Rong Chen, Hao Yang, Xiao-Ming Ren, Fang Xuan, and Shi-Ming Zhou pp 3870–3877   DOI: 10.1021/ic302571p   Supporting Info

Transmetalation of Chromocene by Lithium-Amide, -Phosphide, and -Arsenide Nucleophiles Sabine Scheuermayer, Floriana Tuna, Eufemio Moreno Pineda, Michael Bodensteiner, Manfred Scheer, and Richard A. Layfield pp 3878–3883   DOI: 10.1021/ic3025815   Supporting Info

Facile Oxidative Conversion of TiH2 to High-Concentration Ti3+-Self-Doped Rutile TiO2 with Visible-Light Photoactivity Lauren R. Grabstanowicz, Shanmin Gao, Tao Li, Robert M. Rickard, Tijana Rajh, Di-Jia Liu, and Tao Xu pp 3884–3890   DOI: 10.1021/ic3026182

Crystal-to-Crystal Transformations of a Series of Isostructural Metal–Organic Frameworks with Different Sizes of Ligated Solvent Molecules Minhak Oh, Lalit Rajput, Dongwook Kim, Dohyun Moon, and Myoung Soo Lah pp 3891–3899   DOI: 10.1021/ic302641v   Supporting Info

Extremely Bulky Amido First Row Transition Metal(II) Halide Complexes: Potential Precursors to Low Coordinate Metal–Metal Bonded Systems Jamie Hicks and Cameron Jones pp 3900–3907   DOI: 10.1021/ic302672a   Supporting Info

Unique Ligand-Radical Character of an Activated Cobalt Salen Catalyst That Is Generated by Aerobic Oxidation of a Cobalt(II) Salen Complex Takuya Kurahashi and Hiroshi Fujii pp 3908–3919   DOI: 10.1021/ic302677f   Supporting Info

Late First-Row Transition Metal Complexes of a Tetradentate Pyridinophane Ligand: Electronic Properties and Reactivity Implications Julia R. Khusnutdinova, Jia Luo, Nigam P. Rath, and Liviu M. Mirica pp 3920–3932   DOI: 10.1021/ic400260z   Supporting Info

Series of 2D Heterometallic Coordination Polymers Based on Ruthenium(III) Oxalate Building Units: Synthesis, Structure, and Catalytic and Magnetic Properties Alla Dikhtiarenko, Sergei A. Khainakov, Imanol de Pedro, Jesús A. Blanco, José R. García, and José Gimeno pp 3933–3941   DOI: 10.1021/ic302725v   Supporting Info

Low-Temperature N–O Bond Cleavage and Reversible N–P Bond Formation Processes in the Reactions of the Unsaturated Anions [M2(η5-C5H5)2(μ-PCy2)(μ-CO)2]− (M = Mo, W) with the Nitrosyl Complex [Re(η5-C5H4Me)(CO)2(NO)]+ M. Angeles Alvarez, M. Esther García, Miguel A. Ruiz, Adrián Toyos, and M. Fernanda Vega pp 3942–3952   DOI: 10.1021/ic3027489   Supporting Info

Structural Characterization of Magnesium-Based Compounds Mg9Si5 and Mg4Si3Al (Superconductor) Synthesized under High Pressure and High Temperature Conditions Shidong Ji, Motoharu Imai, Haikui Zhu, and Shoji Yamanaka pp 3953–3961   DOI: 10.1021/ic3027539   Supporting Info

Cooperative Effect of Unsheltered Amide Groups on CO2 Adsorption Inside Open-Ended Channels of a Zinc(II)–Organic Framework Cheng-Hua Lee, Hung-Yu Huang, Yen-Hsiang Liu, Tzuoo-Tsair Luo, Gene-Hsiang Lee, Shie-Ming Peng, Jyh-Chiang Jiang, Ito Chao, and Kuang-Lieh Lu pp 3962–3968   DOI: 10.1021/ic302758g   Supporting Info

Encapsulation of the BeII Cation: Spectroscopic and Computational Study Karl J. Shaffer, Ross J. Davidson, Anthony K. Burrell, T. Mark McCleskey, and Paul G. Plieger pp 3969–3975   DOI: 10.1021/ic302770t   Supporting Info

Hydrogen-Bonding Effects on the Reactivity of [X–FeIII–O–FeIV═O] (X = OH, F) Complexes toward C–H Bond Cleavage Genqiang Xue, Caiyun Geng, Shengfa Ye, Adam T. Fiedler, Frank Neese, and Lawrence Que, Jr. pp 3976–3984   DOI: 10.1021/ic3027896   Supporting Info

B-Site Deficiencies in A-site-Ordered Perovskite LaCu3Pt3.75O12 Mikiko Ochi, Ikuya Yamada, Kenya Ohgushi, Yoshihiro Kusano, Masaichiro Mizumaki, Ryoji Takahashi, Shunsuke Yagi, Norimasa Nishiyama, Toru Inoue, and Tetsuo Irifune pp 3985–3989   DOI: 10.1021/ic302809v   Supporting Info

Flux Synthesis, Crystal Structure, and Photoluminescence of a Heterometallic Uranyl-Europium Germanate with U═O–Eu Linkage: K4[(UO2)Eu2(Ge2O7)2] Shih-Pu Liu, Meng-Ling Chen, Bor-Chen Chang, and Kwang-Hwa Lii pp 3990–3994   DOI: 10.1021/ic302826u   Supporting Info

Stepwise Formation of a Pentanuclear Ni4Cu Heterometallic Complex Exhibiting a Vertex-Sharing Defective Double-Cubane Core and Diphenoxo- and Phenoxo/Azide Bridging Groups: A Magnetostructural and DFT Theoretical Study Koushik Pramanik, Pijush Malpaharia, Antonio J. Mota, Enrique Colacio, Babulal Das, F. Lloret, and Swapan K. Chandra pp 3995–4001   DOI: 10.1021/ic302784q   Supporting Info

Heterobi- and Trimetallic Cerium(IV) tert-Butoxides with Mono-, Di-, and Trivalent Metals (M = K(I), Ge(II), Sn(II), Pb(II), Al(III), Fe(III)) Johannes Schläfer, Stefan Stucky, Wieland Tyrra, and Sanjay Mathur pp 4002–4010   DOI: 10.1021/ic400030j   Supporting Info

Tandem Postsynthetic Metal Ion and Ligand Exchange in Zeolitic Imidazolate Frameworks Honghan Fei, John F. Cahill, Kimberly A. Prather, and Seth M. Cohen pp 4011–4016   DOI: 10.1021/ic400048g   Supporting Info

Synthesis, X-ray Characterization, and Reactivity of α-Aminoacidato Ethoxide Complexes of Niobium(V) and Tantalum(V) Mohammad Hayatifar, Fabio Marchetti, Guido Pampaloni, and Stefano Zacchini pp 4017–4025   DOI: 10.1021/ic4000654   Supporting Info

Protonation of Ferrous Dinitrogen Complexes Containing a Diphosphine Ligand with a Pendent Amine Zachariah M. Heiden, Shentan Chen, Michael T. Mock, William G. Dougherty, W. Scott Kassel, Roger Rousseau, and R. Morris Bullock pp 4026–4039   DOI: 10.1021/ic4000704   Supporting Info

Multi-Center Redox-Active System: Amine–Amine Electronic Coupling through a Cyclometalated Bisruthenium Segment Chang-Jiang Yao, Yu-Wu Zhong, and Jiannian Yao pp 4040–4045   DOI: 10.1021/ic400082z   Supporting Info

Effects of Different Substituents on the Crystal Structures and Antimicrobial Activities of Six Ag(I) Quinoline Compounds Alshima’a A. Massoud, Vratislav Langer, Yousry M. Gohar, Morsy A. M. Abu-Youssef, Janne Jänis, Gabriella Lindberg, Karl Hansson, and Lars Öhrström pp 4046–4060   DOI: 10.1021/ic400081v   Supporting Info

Aluminum, Gallium, Germanium, Copper, and Phosphorus Complexes of meso-Triaryltetrabenzocorrole Giuseppe Pomarico, Sara Nardis, Mario L. Naitana, M. Graça H. Vicente, Karl M. Kadish, Ping Chen, Luca Prodi, Damiano Genovese, and Roberto Paolesse pp 4061–4070   DOI: 10.1021/ic400162y   Supporting Info

Mono- and Dinuclear Ag(I), Au(I), and Au(III) Metallamacrocycles Containing N-Heterocyclic Dicarbene Ligands Juan Gil-Rubio, Verónica Cámara, Delia Bautista, and José Vicente pp 4071–4083   DOI: 10.1021/ic400184p   Supporting Info

Is Macrocycle a Synonym for Kinetic Inertness in Gd(III) Complexes? Effect of Coordinating and Noncoordinating Substituents on Inertness and Relaxivity of Gd(III) Chelates with DO3A-like Ligands Miloslav Polasek and Peter Caravan pp 4084–4096   DOI: 10.1021/ic400227k   Supporting Info

New Bismuth Selenium Oxides: Syntheses, Structures, and Characterizations of Centrosymmetric Bi2(SeO3)2(SeO4) and Bi2(TeO3)2(SeO4) and Noncentrosymmetric Bi(SeO3)(HSeO3) Eun Pyo Lee, Seung Yoon Song, Dong Woo Lee, and Kang Min Ok pp 4097–4103   DOI: 10.1021/ic4002384   Supporting Info

Conformationally Constrained N-Heterocyclic Phosphine–Diimine with Dual Functionality Georgios Mourgas, Martin Nieger, Daniela Förster, and Dietrich Gudat pp 4104–4112   DOI: 10.1021/ic400261w   Supporting Info

High Quantum Yield Molecular Bromine Photoelimination from Mononuclear Platinum(IV) Complexes Alice Raphael Karikachery, Han Baek Lee, Mehdi Masjedi, Andreas Ross, Morgan A. Moody, Xiaochen Cai, Megan Chui, Carl D. Hoff, and Paul R. Sharp pp 4113–4119   DOI: 10.1021/ic4004998   Supporting Info

Issue 08

Intracellular Targeting and Pharmacological Activity of the Superoxide Dismutase Mimics MnTE-2-PyP5+ and MnTnHex-2-PyP5+ Regulated by Their Porphyrin Ring Substituents Jade B. Aitken, Emily L. Shearer, Niroshini M. Giles, Barry Lai, Stefan Vogt, Julio S. Reboucas, Ines Batinic-Haberle, Peter A. Lay, and Gregory I. Giles pp 4121–4123   DOI: 10.1021/ic300700g   Supporting Info

Zn7O2(RCOO)10 Clusters and Nitro Aromatic Linkers in a Porous Metal–Organic Framework Simon S. Iremonger, Ramanathan Vaidhyanathan, Roger K. Mah, and George K. H. Shimizu pp 4124–4126   DOI: 10.1021/ic302127y   Supporting Info

Serendipitous Assemblies of Two Large Phosphonate Cages: A Co15 Distorted Molecular Cube and a Co12 Butterfly Type Core Structure Javeed Ahmad Sheikh, Soumyabrata Goswami, Amit Adhikary, and Sanjit Konar pp 4127–4129   DOI: 10.1021/ic3025183   Supporting Info

Self-construction of Magnetic Hollow La0.7Sr0.3MnO3 Microspheres with Complex Units Xuefeng Chu, Keke Huang, Mei Han, and Shouhua Feng pp 4130–4132   DOI: 10.1021/ic400296b   Supporting Info

Efficient Quenching of TGA-Capped CdTe Quantum Dot Emission by a Surface-Coordinated Europium(III) Cyclen Complex Shane A. Gallagher, Steve Comby, Michal Wojdyla, Thorfinnur Gunnlaugsson, John M. Kelly, Yurii K. Gun’ko, Ian P. Clark, Gregory M. Greetham, Michael Towrie, and Susan J. Quinn pp 4133–4135   DOI: 10.1021/ic3027623   Supporting Info

Unidirectional Charge Transfer in Di-cobalt Valence Tautomeric Compound Finely Tuned by Ancillary Ligand Bao Li, Li-Qin Chen, Jun Tao, Rong-Bin Huang, and Lan-Sun Zheng pp 4136–4138   DOI: 10.1021/ic4000268   Supporting Info

Intriguing Chemistry of Molybdenum Corroles Izana Nigel-Etinger, Israel Goldberg, and Zeev Gross pp 4139–4141   DOI: 10.1021/ic400116u   Supporting Info

Single Crystal to Single Crystal Transformation and Hydrogen-Atom Transfer upon Oxidation of a Cerium Coordination Compound Ursula J. Williams, Brian D. Mahoney, Andrew J. Lewis, Patrick T. DeGregorio, Patrick J. Carroll, and Eric J. Schelter pp 4142–4144   DOI: 10.1021/ic4001973   Supporting Info

Dinuclear Lanthanide(III) Complexes by Metal-Ion-Assisted Hydration of Di-2-pyridyl Ketone Azine Nikolaos C. Anastasiadis, Carlos M. Granadeiro, Nikolaos Klouras, Luís Cunha-Silva, Catherine P. Raptopoulou, Vassilis Psycharis, Vlasoula Bekiari, Salete S. Balula, Albert Escuer, and Spyros P. Perlepes pp 4145–4147   DOI: 10.1021/ic400185e   Supporting Info

Kinetically Controlling Phase Transformations of Crystalline Mercury Selenidostannates through Surfactant Media Wei-Wei Xiong, Pei-Zhou Li, Tian-Hua Zhou, Alfred Iing Yoong Tok, Rong Xu, Yanli Zhao, and Qichun Zhang pp 4148–4150   DOI: 10.1021/ic4002169   Supporting Info

Formation of [NiIII(κ1-S2CH)(P(o-C6H3-3-SiMe3-2-S)3)]− via CS2 Insertion into Nickel(III) Hydride Containing [NiIII(H)(P(o-C6H3-3-SiMe3-2-S)3)]− Kuan-Ting Lai, Wei-Chieh Ho, Tzung-Wen Chiou, and Wen-Feng Liaw pp 4151–4153   DOI: 10.1021/ic400293k   Supporting Info

Avoiding Magnetochemical Overparametrization, Exemplified by One-Dimensional Chains of Hexanuclear Iron(III) Pivalate Clusters Svetlana G. Baca, Tim Secker, Annabel Mikosch, Manfred Speldrich, Jan van Leusen, Arkady Ellern, and Paul Kögerler pp 4154–4156   DOI: 10.1021/ic4003884   Supporting Info

Interaction of Anticancer Ruthenium Compounds with Proteins: High-Resolution X-ray Structures and Raman Microscopy Studies of the Adduct between Hen Egg White Lysozyme and AziRu Alessandro Vergara, Gerardino D’Errico, Daniela Montesarchio, Gaetano Mangiapia, Luigi Paduano, and Antonello Merlino pp 4157–4159   DOI: 10.1021/ic4004142   Supporting Info

Kinetics and Thermodynamics of Small Molecule Binding to Pincer-PCP Rhodium(I) Complexes Mark D. Doherty, David C. Grills, Kuo-Wei Huang, James T. Muckerman, Dmitry E. Polyansky, Rudi van Eldik, and Etsuko Fujita pp 4160–4172   DOI: 10.1021/ic300672g   Supporting Info

Activation of Dimanganese Class Ib Ribonucleotide Reductase by Hydrogen Peroxide: Mechanistic Insights from Density Functional Theory Katarina Roos and Per E. M. Siegbahn pp 4173–4184   DOI: 10.1021/ic3008427   Supporting Info

Structural and Physical Properties Diversity of New CaCu5-Type Related Europium Platinum Borides Leonid Salamakha, Ernst Bauer, Gerfried Hilscher, Herwig Michor, Oksana Sologub, Peter Rogl, and Gerald Giester pp 4185–4197   DOI: 10.1021/ic301548w   Supporting Info

Two-Dimensional Charge-Separated Metal–Organic Framework for Hysteretic and Modulated Sorption Sujuan Wang, Qiuli Yang, Jianyong Zhang, Xuepeng Zhang, Cunyuan Zhao, Long Jiang, and Cheng-Yong Su pp 4198–4204   DOI: 10.1021/ic301781n   Supporting Info

Screening Hofmann Compounds as CO2 Sorbents: Nontraditional Synthetic Route to Over 40 Different Pore-Functionalized and Flexible Pillared Cyanonickelates Jeffrey T. Culp, Catherine Madden, Kristi Kauffman, Fan Shi, and Christopher Matranga pp 4205–4216   DOI: 10.1021/ic301893p   Supporting Info

Solid-State Structure and Calculated Electronic Structure, Formation Energy, Chemical Bonding, and Optical Properties of Zn4O(FMA)3 and Its Heavier Congener Cd4O(FMA)3 Li-Ming Yang, Ponniah Ravindran, and Mats Tilset pp 4217–4228   DOI: 10.1021/ic301928a   Supporting Info

Porous Coordination Polymer Polymorphs with Different Flexible Pores Using a Structurally Flexible and Bent 1,3-Bis(4-pyridyl)propane Ligand Katsuo Fukuhara, Shin-ichiro Noro, Kunihisa Sugimoto, Tomoyuki Akutagawa, Kazuya Kubo, and Takayoshi Nakamura pp 4229–4237   DOI: 10.1021/ic301949n   Supporting Info

Can Molecular Cages Be Effective at Small Molecule Activation? A Computational Investigation Nishamol Kuriakose and Kumar Vanka pp 4238–4243   DOI: 10.1021/ic3019887   Supporting Info

Trans Effect in Halobismuthates and Haloantimonates Revisited. Molecular Structures and Vibrations from Theoretical Calculations Hong-Li Sheu and Jaan Laane pp 4244–4249   DOI: 10.1021/ic302082a   Supporting Info

Synthesis and Structure Determination of CaSi1/3B2/3O8/3: A New Calcium Borosilicate Emmanuel Véron, Mounesha N. Garaga, Denis Pelloquin, Sylvian Cadars, Matthew Suchomel, Emmanuelle Suard, Dominique Massiot, Valérie Montouillout, Guy Matzen, and Mathieu Allix pp 4250–4258   DOI: 10.1021/ic302114t   Supporting Info

Manganese(II), Iron(II), and Mixed-Metal Metal–Organic Frameworks Based on Chains with Mixed Carboxylate and Azide Bridges: Magnetic Coupling and Slow Relaxation Yan-Qin Wang, Qi Yue, Yan Qi, Kun Wang, Qian Sun, and En-Qing Gao pp 4259–4268   DOI: 10.1021/ic302162c   Supporting Info

Role of Wingtip Substituents on Benzene-Platform-Based Tetrapodal Ligands toward the Formation of a Self-Assembled Silver Carbene Cage B. Nisar Ahamed, Ranjan Dutta, and Pradyut Ghosh pp 4269–4276   DOI: 10.1021/ic302184h   Supporting Info

Comparisons of Plutonium, Thorium, and Cerium Tellurite Sulfates Jian Lin, Justin N. Cross, Juan Diwu, Nathan A. Meredith, and Thomas E. Albrecht-Schmitt pp 4277–4281   DOI: 10.1021/ic302216y   Supporting Info

Isolation, Characterization, and Nuclease Activity of Biologically Relevant Chromium(V) Complexes with Monosaccharides and Model Diols. Likely Intermediates in Chromium-Induced Cancers Ruben Bartholomäus, Jennifer A. Irwin, Liwei Shi, Siwaporn Meejoo Smith, Aviva Levina, and Peter A. Lay pp 4282–4292   DOI: 10.1021/ic3022408   Supporting Info

1,3-Dipolar Cycloadditions of Ruthenium(II) Azido Complexes with Alkynes and Nitriles S. Miguel-Fernández, S. Martínez de Salinas, J. Díez, M. P. Gamasa, and E. Lastra pp 4293–4302   DOI: 10.1021/ic302264t   Supporting Info

Mixed Ligand Cu2+ Complexes of a Model Therapeutic with Alzheimer’s Amyloid-β Peptide and Monoamine Neurotransmitters Vijaya B. Kenche, Izabela Zawisza, Colin L. Masters, Wojciech Bal, Kevin J. Barnham, and Simon C. Drew pp 4303–4318   DOI: 10.1021/ic302289r   Supporting Info

[Li(XeF2)n](AF6) (A = P, As, Ru, Ir), the First Xenon(II) Compounds of Lithium. Synthesis, Raman Spectrum, and Crystal Structure of [Li(XeF2)3](AsF6) Gašper Tavčar and Boris Žemva pp 4319–4323   DOI: 10.1021/ic302323j   Supporting Info

Integration of Alkyl-Substituted Bipyridyl Benzenedithiolato Platinum(II) Complexes with Cadmium(II) Ion via Selective Dative Bond Formation Hirotaka Honda, Takeshi Matsumoto, Misaki Sakamoto, Atsushi Kobayashi, Ho-Chol Chang, and Masako Kato pp 4324–4334   DOI: 10.1021/ic302352k   Supporting Info

New Dinuclear Ruthenium Complexes: Structure and Oxidative Catalysis Carlo Di Giovanni, Lydia Vaquer, Xavier Sala, Jordi Benet-Buchholz, and Antoni Llobet pp 4335–4345   DOI: 10.1021/ic302481s   Supporting Info

Synthetic, Structural, NMR, and Computational Study of a Geminally Bis(peri-substituted) Tridentate Phosphine and Its Chalcogenides and Transition-Metal Complexes Matthew J. Ray, Rebecca A. M. Randall, Kasun S. Athukorala Arachchige, Alexandra M. Z. Slawin, Michael Bühl, Tomas Lebl, and Petr Kilian pp 4346–4359   DOI: 10.1021/ic3024875   Supporting Info

l-Tyrosinatonickel(II) Complex: Synthesis and Structural, Spectroscopic, Magnetic, and Biological Properties of 2{[Ni(l-Tyr)2(bpy)]}·3H2O·CH3OH Agnieszka Wojciechowska, Anna Gągor, Marek Duczmal, Zbigniew Staszak, and Andrzej Ozarowski pp 4360–4371   DOI: 10.1021/ic3024919   Supporting Info

Trace Level Uranyl Complexation with Phenylphosphonic Acid in Aqueous Solution: Direct Speciation by High Resolution Mass Spectrometry Catherine Galindo and Mirella Del Nero pp 4372–4383   DOI: 10.1021/ic302494a   Supporting Info

PPh3-Derivatives of [Pt3n(CO)6n]2– (n = 2–6) Chini’s Clusters: Syntheses, Structures, and 31P NMR Studies Iacopo Ciabatti, Cristina Femoni, Maria Carmela Iapalucci, Giuliano Longoni, Tatiana Lovato, and Stefano Zacchini pp 4384–4395   DOI: 10.1021/ic3025414   Supporting Info

Picolyl–NHC Hydrotris(pyrazolyl)borate Ruthenium(II) Complexes: Synthesis, Characterization, and Reactivity with Small Molecules Francys E. Fernández, M. Carmen Puerta, and Pedro Valerga pp 4396–4410   DOI: 10.1021/ic302553z   Supporting Info

Phase Progression of γ-Al2O3 Nanoparticles Synthesized in a Solvent-Deficient Environment Stacey J. Smith, Samrat Amin, Brian F. Woodfield, Juliana Boerio-Goates, and Branton J. Campbell pp 4411–4423   DOI: 10.1021/ic302593f   Supporting Info

Synthesis of Complex Polymeric Telluridoindates from KInTe2 Johanna Heine, Silke Santner, and Stefanie Dehnen pp 4424–4430   DOI: 10.1021/ic302613g   Supporting Info

Synthesis, Crystal Structure, and Solid-State NMR Investigations of Heteronuclear Zn/Co Coordination Networks — A Comparative Study Anusree Viswanath Kuttatheyil, Daniel Lässig, Jörg Lincke, Merten Kobalz, Maria Baias, Katja König, Jörg Hofmann, Harald Krautscheid, Chris J. Pickard, Jürgen Haase, and Marko Bertmer pp 4431–4442   DOI: 10.1021/ic302643w   Supporting Info

Crystal Chemistry, Band Engineering, and Photocatalytic Activity of the LiNb3O8–CuNb3O8 Solid Solution Prangya Parimita Sahoo and Paul A. Maggard pp 4443–4450   DOI: 10.1021/ic302649s   Supporting Info

Soluble Molybdenum(V) Imido Phthalocyanines and Pyrazinoporphyrazines: Crystal Structure, UV–vis and Electron Paramagnetic Resonance Spectroscopic Studies Elisabeth Seikel, Benjamin Oelkers, Olaf Burghaus, and Jörg Sundermeyer pp 4451–4457   DOI: 10.1021/ic3026914   Supporting Info

Diffusion-Controlled Formation of Ti2O3 during Spark-Plasma Synthesis I. Veremchuk, I. Antonyshyn, C. Candolfi, X. Feng, U. Burkhardt, M. Baitinger, J.-T. Zhao, and Yu. Grin pp 4458–4463   DOI: 10.1021/ic3027094

Highly Reduced Double-Decker Single-Molecule Magnets Exhibiting Slow Magnetic Relaxation Mathieu Gonidec, Itana Krivokapic, Jose Vidal-Gancedo, E. Stephen Davies, Jonathan McMaster, Sergiu M. Gorun, and Jaume Veciana pp 4464–4471   DOI: 10.1021/ic3027418   Supporting Info

New Complexes of Chromium(III) Containing Organic π-Radical Ligands: An Experimental and Density Functional Theory Study Mei Wang, Jason England, Thomas Weyhermüller, Swarna-Latha Kokatam, Christopher J. Pollock, Serena DeBeer, Jingmei Shen, Glenn P.A. Yap, Klaus H. Theopold, and Karl Wieghardt pp 4472–4487   DOI: 10.1021/ic302743s   Supporting Info

Facile One-Step Synthesis of MPHMes from MesPCl2 (M = Li, Na, K; Mes = 2,4,6-Me3C6H2) Ivana Jevtovikj, Rebeca Herrero, Santiago Gómez-Ruiz, Peter Lönnecke, and Evamarie Hey-Hawkins pp 4488–4493   DOI: 10.1021/ic302759k   Supporting Info

Synthesis and Size Control of Iron(II) Hexacyanochromate(III) Nanoparticles and the Effect of Particle Size on Linkage Isomerism Matthieu F. Dumont, Olivia N. Risset, Elisabeth S. Knowles, Takashi Yamamoto, Daniel M. Pajerowski, Mark W. Meisel, and Daniel R. Talham pp 4494–4501   DOI: 10.1021/ic302764k   Supporting Info

Structures of, and Related Consequences of Deprotonation on, Two Cs-Symmetric Arachno Nine-Vertex Heteroboranes, 4,6-X2B7H9 (X = CH2; S) Studied by Gas Electron Diffraction/Quantum Chemical Calculations and GIAO/NMR Derek A. Wann, Paul D. Lane, Heather E. Robertson, Josef Holub, and Drahomír Hnyk pp 4502–4508   DOI: 10.1021/ic302776d   Supporting Info

Dehydrocoupling of Dimethylamine Borane Catalyzed by Rh(PCy3)2H2Cl Laura J. Sewell, Miguel A. Huertos, Molly E. Dickinson, and Andrew S. Weller , Guy C. Lloyd-Jones pp 4509–4516   DOI: 10.1021/ic302804d   Supporting Info

cis-1,3,5-Triaminocyclohexane as a Facially Capping Ligand for Ruthenium(II) Aimee J. Gamble, Jason M. Lynam, Robert J. Thatcher, Paul H. Walton, and Adrian C. Whitwood pp 4517–4527   DOI: 10.1021/ic302819j   Supporting Info

Platinum-Mediated Dinitrogen Liberation from 2-Picolyl Azide through a Putative Pt═N Double Bond Containing Intermediate Balazs Pinter, Damijana Urankar, Andrej Pevec, Frank De Proft, and Janez Košmrlj pp 4528–4533   DOI: 10.1021/ic302834e   Supporting Info

Oxorhenium Complexes Bearing the Water-Soluble Tris(pyrazol-1-yl)methanesulfonate, 1,3,5-Triaza-7-phosphaadamantane, or Related Ligands, as Catalysts for Baeyer–Villiger Oxidation of Ketones Luísa M. D. R. S. Martins, Elisabete C. B. A. Alegria, Piotr Smoleński, Maxim L. Kuznetsov, and Armando J. L. Pombeiro pp 4534–4546   DOI: 10.1021/ic400024r   Supporting Info

Influence of the Metal (Al, Cr, and Co) and Substituents of the Porphyrin in Controlling Reactions Involved in Copolymerization of Propylene Oxide and Carbon Dioxide by Porphyrin Metal(III) Complexes. 3. Cobalt Chemistry Chandrani Chatterjee, Malcolm H. Chisholm, Adnan El-Khaldy, Ruaraidh D. McIntosh, Jeffrey T. Miller, and Tianpin Wu pp 4547–4553   DOI: 10.1021/ic400068y   Supporting Info

Slow Magnetic Relaxation in Co(III)–Co(II) Mixed-Valence Dinuclear Complexes with a CoIIO5X (X = Cl, Br, NO3) Distorted-Octahedral Coordination Sphere Vadapalli Chandrasekhar, Atanu Dey, Antonio J. Mota, and Enrique Colacio pp 4554–4561   DOI: 10.1021/ic400073y   Supporting Info

Octanuclear {Ln(III)8}(Ln = Gd, Tb, Dy, Ho) Macrocyclic Complexes in a Cyclooctadiene-like Conformation: Manifestation of Slow Relaxation of Magnetization in the Dy(III) Derivative Vadapalli Chandrasekhar, Prasenjit Bag, and Enrique Colacio pp 4562–4570   DOI: 10.1021/ic400091j   Supporting Info

Synthesis of Hetero-Binuclear Complexes from Bisgermavinylidene Wing-Por Leung, Kwok-Wai Kan, Yuk-Chi Chan, and Thomas C. W. Mak pp 4571–4577   DOI: 10.1021/ic400056f   Supporting Info

Electron Paramagnetic Resonance Analysis of a Transient Species Formed During Water Oxidation Catalyzed by the Complex Ion [(bpy)2Ru(OH2)]2O4+ Jamie A. Stull, Troy A. Stich, James K. Hurst, and R. David Britt pp 4578–4586   DOI: 10.1021/ic4001158   Supporting Info

Modulating Magnetic Dynamics of Dy2 System through the Coordination Geometry and Magnetic Interaction Peng Zhang, Li Zhang, Shuang-Yan Lin, Shufang Xue, and Jinkui Tang pp 4587–4592   DOI: 10.1021/ic400150f   Supporting Info

Silver(I) Complex Formation with Cysteine, Penicillamine, and Glutathione Bonnie O. Leung, Farideh Jalilehvand, Vicky Mah, Masood Parvez, and Qiao Wu pp 4593–4602   DOI: 10.1021/ic400192c   Supporting Info

Synthesis and Characterization of Low-Generation Polyamidoamine (PAMAM) Dendrimer–Sodium Montmorillonite (Na-MMT) Clay Nanocomposites Amila U. Liyanage, Esther U. Ikhuoria, Adeniyi A. Adenuga, Vincent T. Remcho, and Michael M. Lerner pp 4603–4610   DOI: 10.1021/ic400198g   Supporting Info

Iridium Porphyrins in CD3OD: Reduction of Ir(III), CD3–OD Bond Cleavage, Ir–D Acid Dissociation and Alkene Reactions Salome Bhagan, Gregory H. Imler, and Bradford B. Wayland pp 4611–4617   DOI: 10.1021/ic400240b   Supporting Info

Hydrothermal Synthesis, Crystal Structure, and Catalytic Potential of a One-Dimensional Molybdenum Oxide/Bipyridinedicarboxylate Hybrid Tatiana R. Amarante, Patrícia Neves, Anabela A. Valente, Filipe A. Almeida Paz, Andrew N. Fitch, Martyn Pillinger, and Isabel S. Gonçalves pp 4618–4628   DOI: 10.1021/ic400248m   Supporting Info

Pressure-Dependent Reversible Increase in Tc for the Ferrimagnetic 2-D MnII(TCNE)I(OH2) and 3-D MnII(TCNE)3/2(I3)1/2·zTHF Organic-Based Magnets Jack G. DaSilva, Amber C. McConnell, and Joel S. Miller pp 4629–4634   DOI: 10.1021/ic400250n

Unprecedented Tris-Phosphido-Bridged Triangular Clusters with 42 Valence Electrons. Chemical, Electrochemical and Computational Studies of their Formation and Stability Tiziana Funaioli, Piero Leoni, Lorella Marchetti, Alberto Albinati, Silvia Rizzato, Fabrizia Fabrizi de Biani, Andrea Ienco, Gabriele Manca, and Carlo Mealli pp 4635–4647   DOI: 10.1021/ic400251y   Supporting Info

Molecular Dynamics Simulation of the Solid-State Topochemical Polymerization of S2N2 Teemu T. Takaluoma, Kari Laasonen, and Risto S. Laitinen pp 4648–4657   DOI: 10.1021/ic400273p   Supporting Info

Lewis Acid Enhanced Axial Ligation of [Mo2]4+ Complexes Brian S. Dolinar and John F. Berry pp 4658–4667   DOI: 10.1021/ic400275x   Supporting Info

Generation of a High-Valent Iron Imido Corrolazine Complex and NR Group Transfer Reactivity Pannee Leeladee, Guy N. L. Jameson, Maxime A. Siegler, Devesh Kumar, Sam P. de Visser, and David P. Goldberg pp 4668–4682   DOI: 10.1021/ic400280x   Supporting Info

Guest-Triggered ZnII Translocation and Supramolecular Nuclearity Control in Calix[6]arene-Based Complexes Nicolas Bernier, Nicolas Menard, Benoit Colasson, Jean-Noël Rebilly, and Olivia Reinaud pp 4683–4691   DOI: 10.1021/ic4002863   Supporting Info

closo-Hydroborates from Liquid Ammonia: Synthesis and Crystal Structures of [Li(NH3)4]2[B12H12]·2NH3, Rb2[B12H12]·8NH3, Cs2[B12H12]·6NH3 and Rb2[B10H10]·5NH3 Florian Kraus, Monalisa Panda, Thomas Müller, and Barbara Albert pp 4692–4699   DOI: 10.1021/ic4002972

Multimetallic Complexes and Functionalized Nanoparticles Based on Oxygen- and Nitrogen-Donor Combinations Saira Naeem, Angela Ribes, Andrew J. P. White, Mohammed N. Haque, Katherine B. Holt, and James D. E. T. Wilton-Ely pp 4700–4713   DOI: 10.1021/ic400335y   Supporting Info

Phosphino-Boryl-Naphthalenes: Geometrically Enforced, Yet Lewis Acid Responsive P → B Interactions Sébastien Bontemps, Marc Devillard, Sonia Mallet-Ladeira, Ghenwa Bouhadir, Karinne Miqueu, and Didier Bourissou pp 4714–4720   DOI: 10.1021/ic4003466   Supporting Info

Switching Metal Ion Coordination and DNA Recognition in a Tandem CCHHC-type Zinc Finger Peptide Angelique N. Besold, Abdulafeez A. Oluyadi, and Sarah L. J. Michel pp 4721–4728   DOI: 10.1021/ic4003516   Supporting Info

Cr(VI) Trioxide as a Starting Material for the Synthesis of Novel Zero-, One-, and Two-Dimensional Uranyl Dichromates and Chromate-Dichromates Oleg I. Siidra, Evgeny V. Nazarchuk, Anna N. Suknotova, Roman A. Kayukov, and Sergey V. Krivovichev pp 4729–4735   DOI: 10.1021/ic400341q   Supporting Info

Easy Access to Silicon(0) and Silicon(II) Compounds Kartik Chandra Mondal, Prinson P. Samuel, Mykyta Tretiakov, Amit Pratap Singh, Herbert W. Roesky, A. Claudia Stückl, Benedikt Niepötter, Elena Carl, Hilke Wolf, Regine Herbst-Irmer, and Dietmar Stalke pp 4736–4743   DOI: 10.1021/ic400357p   Supporting Info

Correction to Synthesis, Lanthanide Coordination Chemistry, and Liquid–Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms Daniel Rosario-Amorin, Sabrina Ouizem, Diane A. Dickie, Yufeng Wen, Robert T. Paine, Jian Gao, John K. Grey, Ana de Bettencourt-Dias, Benjamin P. Hay, and Lætitia H. Delmau pp 4744–4744   DOI: 10.1021/ic400664q

Correction to Comparative Insight into Electronic Properties and Reactivities toward C–H Bond Activation by Iron(IV)–Nitrido, Iron(IV)–Oxo and Iron(IV)–Sulfido Complexes: A Theoretical Investigation Hao Tang, Jia Guan, Huiling Liu, and Xuri Huang pp 4745–4745   DOI: 10.1021/ic4007668   Supporting Info

Issue 09

Coordination Chemistry of Single-Site Catalyst Precursors in Reductively Electropolymerized Vinylbipyridine Films Daniel P. Harrison, Alexander M. Lapides, Robert A. Binstead, Javier J. Concepcion, Manuel A. Méndez, Daniel A. Torelli, Joseph L. Templeton, and Thomas J. Meyer pp 4747–4749   DOI: 10.1021/ic302472r   Supporting Info

Nanosized Alkali-Metal-Doped Ethoxotitanate Clusters Yang Chen, Elzbieta Trzop, Anna Makal, Jesse D. Sokolow, and Philip Coppens pp 4750–4752   DOI: 10.1021/ic302692d   Supporting Info

Cobalt Polyoxometalates as Heterogeneous Water Oxidation Catalysts Joaquín Soriano-López, Sara Goberna-Ferrón, Laura Vigara, Jorge J. Carbó, Josep M. Poblet, and José Ramón Galán-Mascarós pp 4753–4755   DOI: 10.1021/ic4001945   Supporting Info

Tight Encapsulation of a “Naked” Chloride in an Imidotitanium Hexanuclear Host Christian Lorber and Laure Vendier pp 4756–4758   DOI: 10.1021/ic400211s   Supporting Info

Bilayer Mott System with Cation···Anion Supramolecular Interactions Based on a Nickel Dithiolene Anion Radical: Coexistence of Ferro- and Antiferromagnetic Anion Layers and Large Negative Magnetoresistance Tetsuro Kusamoto, Hiroshi M. Yamamoto, Naoya Tajima, Yugo Oshima, Satoshi Yamashita, and Reizo Kato pp 4759–4761   DOI: 10.1021/ic400285a   Supporting Info

Open-Shell Triplet Character of #6094C68: Spherical Aromaticity, Thermodynamic Stability, and Regioselective Chlorination Jing-Shuang Dang, Jia-Jia Zheng, Wei-Wei Wang, and Xiang Zhao pp 4762–4764   DOI: 10.1021/ic400290a   Supporting Info

Solvent-Soluble Coordination Polymer That Reconstructs Cyclic Frameworks That Trap a Kinetically Labile [Cu(CO3)2]2– Unit Tatsunari Inoue, Katsunori Yamanishi, and Mitsuru Kondo pp 4765–4767   DOI: 10.1021/ic400315g   Supporting Info

Trifluoromethyl and Chloro Derivatives of a Higher Fullerene D2-C80(2): C80(CF3)12 and C80Cl28 Shangfeng Yang, Tao Wei, Nadezhda B. Tamm, Erhard Kemnitz, and Sergey I. Troyanov pp 4768–4770   DOI: 10.1021/ic400358e   Supporting Info

Varying the Alkali-Metal Radii in (KxRb1–x)n[GaH2]n (0 ≤ x ≤ 1) Reorients a Stable Polyethylene-Structured [GaH2]nn– Anionic Chain Henrik Fahlquist, Dag Noréus, and Magnus H. Sørby pp 4771–4773   DOI: 10.1021/ic400224a   Supporting Info

Decorating Metal Oxide Surfaces with Fluorescent Chlorosulfonated Corroles Carl M. Blumenfeld, Robert H. Grubbs, Rex A. Moats, Harry B. Gray, and Karn Sorasaenee pp 4774–4776   DOI: 10.1021/ic400410k   Supporting Info

Slow Magnetic Relaxation in a Hydrogen-Bonded 2D Array of Mononuclear Dysprosium(III) Oxamates Francisco R. Fortea-Pérez, Julia Vallejo, Miguel Julve, Francesc Lloret, Giovanni De Munno, Donatella Armentano, and Emilio Pardo pp 4777–4779   DOI: 10.1021/ic4005517   Supporting Info

Rapid Hydrothermal Synthesis of VO2 (B) and Its Conversion to Thermochromic VO2 (M1) Srinivasa Rao Popuri, Marinela Miclau, Alla Artemenko, Christine Labrugere, Antoine Villesuzanne, and Michaël Pollet pp 4780–4785   DOI: 10.1021/ic301201k

Mechanisms of the Water-Gas Shift Reaction Catalyzed by Ruthenium Pentacarbonyl: A Density Functional Theory Study Hannes Schulz, Andreas Görling, and Wolfgang Hieringer pp 4786–4794   DOI: 10.1021/ic301539q   Supporting Info

Regulatory Role of Glu546 in Flavin Mononucleotide — Heme Electron Transfer in Human Inducible Nitric Oxide Synthase Wenbing Li, Li Chen, Changyuan Lu, Bradley O. Elmore, Andrei V. Astashkin, Denis L. Rousseau, Syun-Ru Yeh, and Changjian Feng pp 4795–4801   DOI: 10.1021/ic3020892   Supporting Info

Metal–Metal Interactions in C3-Symmetric Diiron Imido Complexes Linked by Phosphinoamide Ligands Subramaniam Kuppuswamy, Tamara M. Powers, Bruce M. Johnson, Mark W. Bezpalko, Carl K. Brozek, Bruce M. Foxman, Louise A. Berben, and Christine M. Thomas pp 4802–4811   DOI: 10.1021/ic302108k   Supporting Info

Site Preference and Ordering Induced by Au Substitution in the γ-Brass Related Complex Au–Cr–Zn Phases Partha P. Jana, Ryan Henderson, Bernd Harbrecht, and Sven Lidin pp 4812–4818   DOI: 10.1021/ic302244e   Supporting Info

Molecular Indium(III) Phosphonates Possessing Ring and Cage Structures. Synthesis and Structural Characterization of [In2(t-BuPO3H)4(phen)2Cl2] and [In3(C5H9PO3)2(C5H9PO3H)4(phen)3]·NO3·3.5H2O Vadapalli Chandrasekhar, Joydeb Goura, and Andrew Duthie pp 4819–4824   DOI: 10.1021/ic3022485   Supporting Info

Phenolate- and Acetate (Both μ2-1,1 and μ2-1,3 Modes)-Bridged Linear CoII3 and CoII2MnII Trimers: Magnetostructural Studies Anuj Kumar Sharma, Francesc Lloret, and Rabindranath Mukherjee pp 4825–4833   DOI: 10.1021/ic302259t   Supporting Info

Polytypism in Sulfate-Intercalated Layered Double Hydroxides of Zn and M(III) (M = Al, Cr): Observation of Cation Ordering in the Metal Hydroxide Layers S. Radha and P. Vishnu Kamath pp 4834–4841   DOI: 10.1021/ic3023198   Supporting Info

Heterobimetallic Coordination Polymers Based on the [Pt(SCN)4]2– and [Pt(SeCN)4]2– Building Blocks Masayuki Kobayashi, Didier Savard, Andrew R. Geisheimer, Ken Sakai, and Daniel B. Leznoff pp 4842–4852   DOI: 10.1021/ic302360b   Supporting Info

Mechanistic Details for Cobalt Catalyzed Photochemical Hydrogen Production in Aqueous Solution: Efficiencies of the Photochemical and Non-Photochemical Steps Bing Shan, Teera Baine, Xuan Anh N. Ma, Xuan Zhao, and Russell H. Schmehl pp 4853–4859   DOI: 10.1021/ic302381w   Supporting Info

Mercury-Modulated Supramolecular Assembly of a Hexaphenylbenzene Derivative for Selective Detection of Picric Acid Vandana Bhalla, Sharanjeet Kaur, Varun Vij, and Manoj Kumar pp 4860–4865   DOI: 10.1021/ic3023997   Supporting Info

BaFe9LiO15: A New Layered Antiferromagnetic Ferrite Tao Yang, Aziz Daoud-Aladine, Michael F. Thomas, John B. Claridge, and Matthew J. Rosseinsky pp 4866–4872   DOI: 10.1021/ic302433a   Supporting Info

Highly Selective Recognition and Fluorescence Imaging of Adenosine Polyphosphates in Aqueous Solution Mei Zhang, Wen-Juan Ma, Chun-Ting He, Long Jiang, and Tong-Bu Lu pp 4873–4879   DOI: 10.1021/ic302435g   Supporting Info

Emission, Raman Spectroscopy, and Structural Characterization of Actinide Tetracyanometallates Branson A. Maynard, K. Sabrina Lynn, Richard E. Sykora, and Anne E. V. Gorden pp 4880–4889   DOI: 10.1021/ic302459z   Supporting Info

Switching of Reverse Charge Transfers for a Rational Design of an OFF–ON Phosphorescent Chemodosimeter of Cyanide Anions Jean-Luc Fillaut, Huriye Akdas-Kilig, Edouard Dean, Camille Latouche, and Abdou Boucekkine pp 4890–4897   DOI: 10.1021/ic302478e   Supporting Info

Long-Range Intramolecular Electronic Communication in Bis(ferrocenylethynyl) Complexes Incorporating Conjugated Heterocyclic Spacers: Synthesis, Crystallography, and Electrochemistry Hakikulla H. Shah, Rayya A. Al-Balushi, Mohammed K. Al-Suti, Muhammad S. Khan, Christopher H. Woodall, Kieran C. Molloy, Paul R. Raithby, Thomas P. Robinson, Sara E. C. Dale, and Frank Marken pp 4898–4908   DOI: 10.1021/ic3024887   Supporting Info

Structure and Unusual Magnetic Properties of YbMn0.17Si1.88 Sebastian C. Peter, Christos D. Malliakas, and Mercouri G. Kanatzidis pp 4909–4915   DOI: 10.1021/ic3024925   Supporting Info

Syntheses, Photoluminescence, and Electroluminescence of a Series of Iridium Complexes with Trifluoromethyl-Substituted 2-Phenylpyridine as the Main Ligands and Tetraphenylimidodiphosphinate as the Ancillary Ligand Qiu-Lei Xu, Cheng-Cheng Wang, Tian-Yi Li, Ming-Yu Teng, Song Zhang, Yi-Ming Jing, Xu Yang, Wei-Nan Li, Chen Lin, You-Xuan Zheng, Jing-Lin Zuo, and Xiao-Zeng You pp 4916–4925   DOI: 10.1021/ic302510p   Supporting Info

Heterobimetallic Lantern Complexes That Couple Antiferromagnetically through Noncovalent Pt···Pt Interactions Frederick G. Baddour, Stephanie R. Fiedler, Matthew P. Shores, James A. Golen, Arnold L. Rheingold, and Linda H. Doerrer pp 4926–4933   DOI: 10.1021/ic302531t   Supporting Info

Hydrothermal Synthesis and Structural and Spectroscopic Properties of the New Triclinic Form of GdBO3:Eu3+ Nanocrystals Agata Szczeszak, Tomasz Grzyb, Bolesław Barszcz, Vitali Nagirnyi, Aleksei Kotlov, and Stefan Lis pp 4934–4940   DOI: 10.1021/ic302525k   Supporting Info

Crystal Growth and First Crystallographic Characterization of Mixed Uranium(IV)–Plutonium(III) Oxalates Christelle Tamain, Bénédicte Arab Chapelet, Murielle Rivenet, Francis Abraham, Richard Caraballo, and Stéphane Grandjean pp 4941–4949   DOI: 10.1021/ic302587t   Supporting Info

Improving the Photosensitizing Properties of Ruthenium Polypyridyl Complexes Using 4-Methyl-2,2′-bipyridine-4′-carbonitrile as an Auxiliary Ligand Juan H. Mecchia Ortiz, Nadia Vega, David Comedi, Mónica Tirado, Isabel Romero, Xavier Fontrodona, Teodor Parella, F. Eduardo Morán Vieyra, Claudio D. Borsarelli, and Néstor E. Katz pp 4950–4962   DOI: 10.1021/ic302594b   Supporting Info

Aromatic Chelator-Specific Lattice Architecture and Dimensionality in Binary and Ternary Cu(II)-Organophosphonate Materials V. Georgantas, M. Menelaou, V. Psycharis, C. P. Raptopoulou, A. Terzis, V. Tangoulis, C. Mateescu, and A. Salifoglou pp 4963–4976   DOI: 10.1021/ic302598d   Supporting Info

Sr7Co4(CO3)O13−δ (δ = 1.64), An Original Cobaltite Derivative of the Ruddlesden–Popper Series A. Demont, D. Pelloquin, S. Hébert, M. Hervieu, J. Höwing, and A. Maignan pp 4977–4984   DOI: 10.1021/ic3026232   Supporting Info

Ruthenium Complexes with Chiral Bis-Pinene Ligands: an Array of Subtle Structural Diversity Lydia Vaquer, Albert Poater, Jonathan De Tovar, Jordi García-Antón, Miquel Solà, Antoni Llobet, and Xavier Sala pp 4985–4992   DOI: 10.1021/ic302678b   Supporting Info

BTBPs versus BTPhens: Some Reasons for Their Differences in Properties Concerning the Partitioning of Minor Actinides and the Advantages of BTPhens Frank W. Lewis, Laurence M. Harwood, Michael J. Hudson, Michael G. B. Drew, Véronique Hubscher-Bruder, Vladimira Videva, Françoise Arnaud-Neu, Karel Stamberg, and Shyam Vyas pp 4993–5005   DOI: 10.1021/ic3026842   Supporting Info

Metal Atom Lability in Polynuclear Complexes Emily V. Eames, Raúl Hernández Sánchez, and Theodore A. Betley pp 5006–5012   DOI: 10.1021/ic302694y   Supporting Info

Crystal Structure and Highly Luminescent Properties Studies of Bis-β-diketonate Lanthanide Complexes Jing Shi, Yanjun Hou, Wenyi Chu, Xiaohong Shi, Huiquan Gu, Bilin Wang, and Zhizhong Sun pp 5013–5022   DOI: 10.1021/ic302726z   Supporting Info

Tetrathiafulvalene-1,3,5-triazines as (Multi)Donor–Acceptor Systems with Tunable Charge Transfer: Structural, Photophysical, and Theoretical Investigations Flavia Pop, François Riobé, Sabine Seifert, Thomas Cauchy, Jie Ding, Nathalie Dupont, Andreas Hauser, Marius Koch, and Narcis Avarvari pp 5023–5034   DOI: 10.1021/ic3027336   Supporting Info

Synthesis, Structure, and Magnetic Properties of a New Family of Tetra-nuclear {Mn2IIILn2}(Ln = Dy, Gd, Tb, Ho) Clusters With an Arch-Type Topology: Single-Molecule Magnetism Behavior in the Dysprosium and Terbium Analogues Vadapalli Chandrasekhar, Prasenjit Bag, Manfred Speldrich, Jan van Leusen, and Paul Kögerler pp 5035–5044   DOI: 10.1021/ic302742u   Supporting Info

Structure, Phase Transition Behaviors and Electrical Properties of Nd Substituted Aurivillius Polycrystallines Na0.5NdxBi2.5–xNb2O9 (x = 0.1, 0.2, 0.3, and 0.5) Changbai Long, Huiqing Fan, and Pengrong Ren pp 5045–5054   DOI: 10.1021/ic302769h   Supporting Info

Investigation of Fe incorporation in LnCr2Al20 (Ln = La, Gd, Yb) with 57Fe Mössbauer and Single Crystal X-ray Diffraction LaRico J. Treadwell, Jacob D. McAlpin, Devin C. Schmitt, Michael J. Kangas, Moulay T. Sougrati, Neel Haldolaarachchige, David P. Young, Jean-Claude Jumas, and Julia Y. Chan pp 5055–5062   DOI: 10.1021/ic302805n   Supporting Info

Isolation of Elusive Tetranuclear and Pentanuclear M(II)–Hydroximate Intermediates in the Assembly of Lanthanide [15-Metallacrown-5] Complexes Joseph Jankolovits, Jeff W. Kampf, and Vincent L. Pecoraro pp 5063–5076   DOI: 10.1021/ic302831u   Supporting Info

New Aqua N-Heterocyclic Carbene Ru(II) Complexes with Two-Electron Process as Selective Epoxidation Catalysts: An Evaluation of Geometrical and Electronic Effects Mohamed Dakkach, Ahmed Atlamsani, Teodor Parella, Xavier Fontrodona, Isabel Romero, and Montserrat Rodríguez pp 5077–5087   DOI: 10.1021/ic302863h   Supporting Info

What Factors Control O2 Binding and Release Thermodynamics in Mononuclear Ruthenium Water Oxidation Catalysts? A Theoretical Exploration Guiling Zhang, Kejuan Chen, Hui Chen, Jiannian Yao, and Sason Shaik pp 5088–5096   DOI: 10.1021/ic3028644   Supporting Info

Carbene Generation by Cytochromes and Electronic Structure of Heme-Iron-Porphyrin-Carbene Complex: A Quantum Chemical Study Nikhil Taxak, Bhargav Patel, and Prasad V. Bharatam pp 5097–5109   DOI: 10.1021/ic400010d   Supporting Info

High Structural Complexity of Potassium Uranyl Borates Derived from High-Temperature/High-Pressure Reactions Shijun Wu, Shuao Wang, Matthew Polinski, Oliver Beermann, Philip Kegler, Thomas Malcherek, Astrid Holzheid, Wulf Depmeier, Dirk Bosbach, Thomas E. Albrecht-Schmitt, and Evgeny V. Alekseev pp 5110–5118   DOI: 10.1021/ic400016z   Supporting Info

Novel Antitumor Agent, Trilacunary Keggin-Type Tungstobismuthate, Inhibits Proliferation and Induces Apoptosis in Human Gastric Cancer SGC-7901 Cells Lu Wang, Bai-Bin Zhou, Kai Yu, Zhan-Hua Su, Song Gao, Li-Li Chu, Jia-Ren Liu, and Guo-Yu Yang pp 5119–5127   DOI: 10.1021/ic400019r   Supporting Info

Tuning the Electronics of Bis(tridentate)ruthenium(II) Complexes with Long-Lived Excited States: Modifications to the Ligand Skeleton beyond Classical Electron Donor or Electron Withdrawing Group Decorations Giovanny A. Parada, Lisa A. Fredin, Marie-Pierre Santoni, Michael Jäger, Reiner Lomoth, Leif Hammarström, Olof Johansson, Petter Persson, and Sascha Ott pp 5128–5137   DOI: 10.1021/ic400009m   Supporting Info

Remarkable Inertness of Copper(II) Chelates of Cyclen-Based Macrobicycles with Two trans-N-Acetate Arms Catarina V. Esteves, Pedro Lamosa, Rita Delgado, Judite Costa, Pauline Désogère, Yoann Rousselin, Christine Goze, and Franck Denat pp 5138–5153   DOI: 10.1021/ic400015v   Supporting Info

3c/4e σ̂-Type Long-Bonding: A Novel Transitional Motif toward the Metallic Delocalization Limit C. R. Landis and F. Weinhold pp 5154–5166   DOI: 10.1021/ic4000395   Supporting Info

Spectroscopic and Phosphorescent Modulation in Triphosphine-Supported PtAg2 Heterotrinuclear Alkynyl Complexes Li-Yi Zhang, Liang-Jin Xu, Xu Zhang, Jin-Yun Wang, Jia Li, and Zhong-Ning Chen pp 5167–5175   DOI: 10.1021/ic4000457   Supporting Info

New Alkali-Metal Gallium Selenites, AGa(SeO3)2 (A = Li, Na, K, and Cs): Effect of Cation Size on the Framework Structures and Macroscopic Centricities Dong Woo Lee and Kang Min Ok pp 5176–5184   DOI: 10.1021/ic400458a   Supporting Info

Phosphine and Diphosphine Complexes of Silicon(IV) Halides William Levason, David Pugh, and Gillian Reid pp 5185–5193   DOI: 10.1021/ic400077z   Supporting Info

Subcomponent Self-Assembly of Rare-Earth Single-Molecule Magnets Victoria E. Campbell, Régis Guillot, Eric Riviere, Pierre-Thomas Brun, Wolfgang Wernsdorfer, and Talal Mallah pp 5194–5200   DOI: 10.1021/ic400098c   Supporting Info

Tracking Reactive Intermediates by FTIR Monitoring of Reactions in Low-Temperature Sublimed Solids: Nitric Oxide Disproportionation Mediated by Ruthenium(II) Carbonyl Porphyrin Ru(TPP)(CO) Arsen S. Azizyan, Tigran S. Kurtikyan, Garik G. Martirosyan, and Peter C. Ford pp 5201–5205   DOI: 10.1021/ic400102q   Supporting Info

Interlayer Switching of Reduction in Layered Oxide, Bi4V2O11−δ (0 ≤ δ ≤ 1) Yaoqing Zhang and Yutaka Ueda pp 5206–5213   DOI: 10.1021/ic400111w   Supporting Info

On the Synthesis and Reactivity of Highly Labile Pseudohalogen Phosphenium Ions Christian Hering, Axel Schulz, and Alexander Villinger pp 5214–5225   DOI: 10.1021/ic4001285   Supporting Info

Heme Bound Amylin: Spectroscopic Characterization, Reactivity, and Relevance to Type 2 Diabetes Soumya Mukherjee and Somdatta Ghosh Dey pp 5226–5235   DOI: 10.1021/ic4001413   Supporting Info

Sequential Oxidations of Thiolates and the Cobalt Metallocenter in a Synthetic Metallopeptide: Implications for the Biosynthesis of Nitrile Hydratase Arnab Dutta, Marco Flores, Souvik Roy, Jennifer C. Schmitt, G. Alexander Hamilton, Hilairy E. Hartnett, Jason M. Shearer, and Anne K. Jones pp 5236–5245   DOI: 10.1021/ic400171z   Supporting Info

Monopicolinate-dipicolyl Derivative of Triazacyclononane for Stable Complexation of Cu2+ and 64Cu2+ Melissa Roger, Luís M. P. Lima, Mathieu Frindel, Carlos Platas-Iglesias, Jean-François Gestin, Rita Delgado, Véronique Patinec, and Raphaël Tripier pp 5246–5259   DOI: 10.1021/ic400174r   Supporting Info

VIVO Versus VIV Complex Formation by Tridentate (O, Narom, O) Ligands: Prediction of Geometry, EPR 51V Hyperfine Coupling Constants, and UV–Vis Spectra Luisa Pisano, Katalin Várnagy, Sarolta Timári, Kaspar Hegetschweiler, Giovanni Micera, and Eugenio Garribba pp 5260–5272   DOI: 10.1021/ic400186x   Supporting Info

Enhancing the Anion Affinity of Urea-Based Receptors with a Ru(terpy)22+ Chromophore Giorgio Baggi, Massimo Boiocchi, Carlo Ciarrocchi, and Luigi Fabbrizzi pp 5273–5283   DOI: 10.1021/ic400196a   Supporting Info

Ferrocene-o-Benzosemiquinonato Tin(IV) Electron-Transfer Complexes Ekaterina V. Ilyakina, Andrey I. Poddel’sky, Georgy K. Fukin, Artem S. Bogomyakov, Vladimir K. Cherkasov, and Gleb A. Abakumov pp 5284–5289   DOI: 10.1021/ic400713p   Supporting Info

Coordination Chemistry of 6-Thioguanine Derivatives with Cobalt: Toward Formation of Electrical Conductive One-Dimensional Coordination Polymers Pilar Amo-Ochoa, Simone S. Alexandre, Samira Hribesh, Miguel A. Galindo, Oscar Castillo, Carlos J. Gómez-García, Andrew R. Pike, José M. Soler, Andrew Houlton, and Félix Zamora pp 5290–5299   DOI: 10.1021/ic400237h   Supporting Info

(α-DT-TTF)2[Au(mnt)2]: A Weakly Disordered Molecular Spin-Ladder System Rafaela A. L. Silva, Ana I. S. Neves, Elsa B. Lopes, Isabel C. Santos, Joana T. Coutinho, Laura C. J. Pereira, Concepció Rovira, Manuel Almeida, and Dulce Belo pp 5300–5306   DOI: 10.1021/ic400246y   Supporting Info

Correlations between Chemical Bonding and Magnetic Exchange Interactions: Synthesis, Crystal Structures, and Magnetic Properties of the New Family RE2AlGe2 (RE = Tb–Tm, Lu) Jiliang Zhang and Svilen Bobev pp 5307–5315   DOI: 10.1021/ic400254v   Supporting Info

Replica of a Fishy Enzyme: Structure–Function Analogue of Trimethylamine-N-Oxide Reductase Golam Moula, Moumita Bose, and Sabyasachi Sarkar pp 5316–5327   DOI: 10.1021/ic4002576   Supporting Info

Transferrin Serves As a Mediator to Deliver Organometallic Ruthenium(II) Anticancer Complexes into Cells Wei Guo, Wei Zheng, Qun Luo, Xianchan Li, Yao Zhao, Shaoxiang Xiong, and Fuyi Wang pp 5328–5338   DOI: 10.1021/ic4002626   Supporting Info

Xantphos-Type Complexes of Group 9: Rhodium versus Iridium Miguel A. Esteruelas, Montserrat Oliván, and Andrea Vélez pp 5339–5349   DOI: 10.1021/ic4002658   Supporting Info

Synthesis and Coordination Behavior of a Bipyridine Platinum(II) Complex with Thioglucose Takaaki Tsuji, Naoto Kuwamura, Nobuto Yoshinari, and Takumi Konno pp 5350–5358   DOI: 10.1021/ic400287g   Supporting Info

New Salt-Inclusion Borate, Li3Ca9(BO3)7·2[LiF]: A Promising UV NLO Material with the Coplanar and High Density BO3 Triangles Hongwei Yu, Hongping Wu, Shilie Pan, Ying Wang, Zhihua Yang, and Xin Su pp 5359–5365   DOI: 10.1021/ic4002779   Supporting Info

Synthesis, Steady-State, and Femtosecond Transient Absorption Studies of Resorcinol Bound Ruthenium(II)- and Osmium(II)-polypyridyl Complexes on Nano-TiO2 Surface in Water Tanmay Banerjee, Sreejith Kaniyankandy, Amitava Das, and Hirendra Nath Ghosh pp 5366–5377   DOI: 10.1021/ic4003548   Supporting Info

Zn2(VO4)(IO3): A Novel Polar Zinc(II) Vanadium(V) Iodate with a Large SHG Response Bing-Ping Yang, Chun-Li Hu, Xiang Xu, Chao Huang, and Jiang-Gao Mao pp 5378–5384   DOI: 10.1021/ic4003324   Supporting Info

Synthesis, Structure, and Solution Reduction Reactions of Volatile and Thermally Stable Mid to Late First Row Transition Metal Complexes Containing Hydrazonate Ligands Lakmal C. Kalutarage, Philip D. Martin, Mary Jane Heeg, and Charles H. Winter pp 5385–5394   DOI: 10.1021/ic400337m   Supporting Info

Synthesis, Photo-, and Electrochemistry of Ruthenium Bis(bipyridine) Complexes Comprising a N-heterocyclic Carbene Ligand Vivienne Leigh, Wadih Ghattas, Ralte Lalrempuia, Helge Müller-Bunz, Mary T. Pryce, and Martin Albrecht pp 5395–5402   DOI: 10.1021/ic400347r   Supporting Info

Reversible Carbon–Carbon Bond Formation Induced by Oxidation and Reduction at a Redox-Active Cobalt Complex Crisita Carmen Hojilla Atienza, Carsten Milsmann, Scott P. Semproni, Zoë R. Turner, and Paul J. Chirik pp 5403–5417   DOI: 10.1021/ic400352r   Supporting Info

Lewis-Acid-Promoted Stoichiometric and Catalytic Oxidations by Manganese Complexes Having Cross-Bridged Cyclam Ligand: A Comprehensive Study Lei Dong, Yujuan Wang, Yanzong Lv, Zhuqi Chen, Fuming Mei, Hui Xiong, and Guochuan Yin pp 5418–5427   DOI: 10.1021/ic400361s   Supporting Info

Synthesis and Reactivity of New Rhenium(I) Complexes Containing Iminophosphorane-Phosphine Ligands: Application to the Catalytic Isomerization of Propargylic Alcohols in Ionic Liquids Joaquín García-Álvarez, Josefina Díez, José Gimeno, Christine M. Seifried, and Cristian Vidal pp 5428–5437   DOI: 10.1021/ic4003687   Supporting Info

Acrylic Acid Derivatives of Group 8 Metal Carbonyls: A Structural and Kinetic Study Bo Li, Samuel J. Kyran, Andrew D. Yeung, Ashfaq A. Bengali, and Donald J. Darensbourg pp 5438–5447   DOI: 10.1021/ic4003737   Supporting Info

Synthesis of New Late Transition Metal P,P-, P,N-, and P,O- Complexes Using Phosphonium Dimers as Convenient Ligand Precursors Kanghee Park, Paraskevi O. Lagaditis, Alan J. Lough, and Robert H. Morris pp 5448–5456   DOI: 10.1021/ic4003753   Supporting Info

Synthesis and Electrochemical Reactivity of Molybdenum Dicarbonyl Supported by a Redox-Active α-Diimine Ligand Isaac R. Corn, Pablo D. Astudillo-Sánchez, Michael J. Zdilla, Phillip E. Fanwick, Michael J. Shaw, Jeffrey T. Miller, Dennis H. Evans, and Mahdi M. Abu-Omar pp 5457–5463   DOI: 10.1021/ic400348j   Supporting Info

Pressure-Induced Transformations in PrVO4 and SmVO4 and Isolation of High-Pressure Metastable Phases Daniel Errandonea, S. Nagabhusan Achary, Julio Pellicer-Porres, and Avesh K. Tyagi pp 5464–5469   DOI: 10.1021/ic400376g

Next Generation PhotoCORMs: Polynuclear Tricarbonylmanganese(I)-Functionalized Polypyridyl Metallodendrimers Preshendren Govender, Sandesh Pai, Ulrich Schatzschneider, and Gregory S. Smith pp 5470–5478   DOI: 10.1021/ic400377k   Supporting Info

Lone Pair Effect, Structural Distortions, and Potential for Superconductivity in Tl Perovskites Leslie M. Schoop, Lukas Müchler, Claudia Felser, and R. J. Cava pp 5479–5483   DOI: 10.1021/ic400381g

Boron-Dipyrromethene-Functionalized Hemilabile Ligands as “Turn-On” Fluorescent Probes for Coordination Changes in Weak-Link Approach Complexes Alejo M. Lifschitz, Chad M. Shade, Alexander M. Spokoyny, Jose Mendez-Arroyo, Charlotte L. Stern, Amy A. Sarjeant, and Chad A. Mirkin pp 5484–5492   DOI: 10.1021/ic400383t   Supporting Info

Oxidatively Induced P–O Bond Formation through Reductive Coupling between Phosphido and Acetylacetonate, 8-Hydroxyquinolinate, and Picolinate Groups Andersson Arias, Juan Forniés, Consuelo Fortuño, and Antonio Martín , Piero Mastrorilli, Stefano Todisco, Mario Latronico, and Vito Gallo pp 5493–5506   DOI: 10.1021/ic4004005   Supporting Info

Synthesis and Characterization of an Azido-Bridged Dinuclear Ruthenium(II) Polypyridylamine Complex Forming a Mixed-Valence State Misaki Makino, Tomoya Ishizuka, Shingo Ohzu, Jiang Hua, Hiroaki Kotani, and Takahiko Kojima pp 5507–5514   DOI: 10.1021/ic400412f   Supporting Info

Inorganic and Organozinc Fluorocarboxylates: Synthesis, Structure and Materials Chemistry A. L. Johnson, A. J. Kingsley, G. Kociok-Köhn, K. C. Molloy, and A. L. Sudlow pp 5515–5526   DOI: 10.1021/ic400420h   Supporting Info

An Asymmetrically Derivatized 1,2,3-Triphospholide: Synthesis and Reactivity of the 4-(2′-Pyridyl)-1,2,3-triphospholide Anion Robert S. P. Turbervill and Jose M. Goicoechea pp 5527–5534   DOI: 10.1021/ic400448x   Supporting Info

Paramagnetic One-Dimensional Chains Comprised of Trinuclear Pt–Cu–Pt and Paddlewheel Dirhodium Complexes with Metal–Metal Bonds Kazuhiro Uemura and Masahiro Ebihara pp 5535–5550   DOI: 10.1021/ic400470g   Supporting Info

Energetic Bis(3,5-dinitro-1H-1,2,4-triazolyl)dihydro- and dichloroborates and Bis(5-nitro-2H-tetrazolyl)-, Bis(5-(trinitromethyl)-2H-tetrazolyl)-, and Bis(5-(fluorodinitromethyl)-2H-tetrazolyl)dihydroborate Ralf Haiges, C. Bigler Jones, and Karl O. Christe pp 5551–5558   DOI: 10.1021/ic400504h   Supporting Info

Synthesis and Crystal Structures of Ca4SiN4 and New Polymorph of Ca5Si2N6 Hisanori Yamane and Haruhiko Morito pp 5559–5563   DOI: 10.1021/ic400522z   Supporting Info

Lanthanides as NMR Probes of Fast Molecular Dynamics at High Magnetic Fields and Temperature Sensors: Conformational Interconversion of Erbium Ethylenediaminetetraacetate Complexes Sergey P. Babailov, Pavel A. Stabnikov, Eugeny N. Zapolotsky, and Vasily V. Kokovkin pp 5564–5569   DOI: 10.1021/ic400525r

A Polyaromatic Terdentate Binding Unit with Fused 5,6-Membered Chelates for Complexing s-, p-, d-, and f-Block Cations Thi Nhu Y Hoang, Marie Humbert-Droz, Thibault Dutronc, Laure Guénée, Céline Besnard, and Claude Piguet pp 5570–5580   DOI: 10.1021/ic400526j   Supporting Info

Synthesis and Mössbauer Spectroscopy of Formal Tin(II) Dichloride and Dihydride Species Supported by Lewis Acids and Bases S. M. Ibrahim Al-Rafia, Olena Shynkaruk, Sean M. McDonald, Sean K. Liew, Michael J. Ferguson, Robert McDonald, Rolfe H. Herber, and Eric Rivard pp 5581–5589   DOI: 10.1021/ic4005455   Supporting Info

DFT Study of Uranyl Peroxo Complexes with H2O, F–, OH–, CO32-, and NO3– Samuel O. Odoh and Georg Schreckenbach pp 5590–5602   DOI: 10.1021/ic400652b   Supporting Info

Characterization of an Iron–Ruthenium Interaction in a Ferrocene Diamide Complex Aaron G. Green, Matthew D. Kiesz, Jeremy V. Oria, Andrew G. Elliott, Andrew K. Buechler, Johannes Hohenberger, Karsten Meyer, Jeffrey I. Zink, and Paula L. Diaconescu pp 5603–5610   DOI: 10.1021/ic400773s   Supporting Info

2,2′-Pyridylpyrrolide Ligand Redistribution Following Reduction Keith Searles, Atanu K. Das, René W. Buell, Maren Pink, Chun-Hsing Chen, Kuntal Pal, David Gene Morgan, Daniel J. Mindiola, and Kenneth G. Caulton pp 5611–5619   DOI: 10.1021/ic400803e   Supporting Info

Issue 10

Fabrication of Highly Crystalline SnNb2O6 Shell with a Visible-Light Response on a NaNbO3 Nanowire Core Kenji Saito and Akihiko Kudo pp 5621–5623   DOI: 10.1021/ic4002175   Supporting Info

Perovskite-Structured PbTiO3 Thin Films Grown from a Single-Source Precursor Muhammad Adil Mansoor, Azhani Ismail, Rosiyah Yahya, Zainudin Arifin, Edward R. T. Tiekink, Ng Seik Weng, Muhammad Mazhar, and Ali Reza Esmaeili pp 5624–5626   DOI: 10.1021/ic302772b   Supporting Info

Synthesis and Characterization of a “Pt3Tl” Cluster Containing an Unprecedented Trigonal Environment for Thallium(I) Úrsula Belío, Sara Fuertes, and Antonio Martín pp 5627–5629   DOI: 10.1021/ic400167w   Supporting Info

Rational Synthesis of a Porous Copper(II) Coordination Polymer Bridged by Weak Lewis-Base Inorganic Monoanions Using an Anion-Mixing Method Shin-ichiro Noro, Katsuo Fukuhara, Yuh Hijikata, Kazuya Kubo, and Takayoshi Nakamura pp 5630–5632   DOI: 10.1021/ic400276c   Supporting Info

dd Excitations in CPO-27-Ni Metal–Organic Framework: Comparison between Resonant Inelastic X-ray Scattering and UV–vis Spectroscopy Erik Gallo, Carlo Lamberti, and Pieter Glatzel pp 5633–5635   DOI: 10.1021/ic400350w   Supporting Info

A Terthiophene-Containing Alkynylplatinum Terpyridine Pacman Complex: Controllable Folding/Unfolding Modulated by Weak Intermolecular Interactions Yang Cao, Michael O. Wolf, and Brian O. Patrick pp 5636–5638   DOI: 10.1021/ic400338v   Supporting Info

Synthesis and Structure of a Carbene-Stabilized Boraallene Coordinated to Rhodium Holger Braunschweig, Qing Ye, and Krzysztof Radacki pp 5639–5641   DOI: 10.1021/ic4005505   Supporting Info

Electronic Structural Changes of Mn in the Oxygen-Evolving Complex of Photosystem II during the Catalytic Cycle Pieter Glatzel, Henning Schroeder, Yulia Pushkar, Thaddeus Boron, III, Shreya Mukherjee, George Christou, Vincent L. Pecoraro, Johannes Messinger, Vittal K. Yachandra, Uwe Bergmann, and Junko Yano pp 5642–5644   DOI: 10.1021/ic4005938   Supporting Info

Unique Coordination-Based Heterometallic Approach for the Stoichiometric Inclusion of High-Valent Metal Ions in a Porous Metal–Organic Framework Keunil Hong, Woojeong Bak, and Hyungphil Chun pp 5645–5647   DOI: 10.1021/ic400607w   Supporting Info

Dodecanuclear Hexagonal-Prismatic M12L18 Coordination Cages by Subcomponent Self-assembly Kiu-Chor Sham, Shek-Man Yiu, and Hoi-Lun Kwong pp 5648–5650   DOI: 10.1021/ic400665m   Supporting Info

Phosphorus(V) Complexes with Acyclic Monoaminocarbene Ligands via Oxidative Addition Tobias Böttcher, Bassem S. Bassil, Lyuben Zhechkov, and Gerd-Volker Röschenthaler pp 5651–5653   DOI: 10.1021/ic400756z   Supporting Info

Ionothermal Synthesis of Chiral Metal Phosphite Open Frameworks with In Situ Generated Organic Templates Li-Ming Li, Kai Cheng, Fei Wang, and Jian Zhang pp 5654–5656   DOI: 10.1021/ic4007795   Supporting Info

Semiconducting [(Bi4Te4Br2)(Al2Cl6–xBrx)]Cl2 and [Bi2Se2Br](AlCl4): Cationic Chalcogenide Frameworks from Lewis Acidic Ionic Liquids Kanishka Biswas, In Chung, Jung-Hwan Song, Christos D. Malliakas, Arthur J. Freeman, and Mercouri G. Kanatzidis pp 5657–5659   DOI: 10.1021/ic400782c   Supporting Info

A Trigonal-Prismatic Hexanuclear Technetium(II) Bromide Cluster: Solid-State Synthesis and Crystallographic and Electronic Structure Erik V. Johnstone, Daniel J. Grant, Frederic Poineau, Laura Fox, Paul M. Forster, Longzou Ma, Laura Gagliardi, Kenneth R. Czerwinski, and Alfred P. Sattelberger pp 5660–5662   DOI: 10.1021/ic400967k   Supporting Info

Inorganic Electron Transfer: Sharpening a Fuzzy Border in Mixed Valency and Extending Mixed Valency across Supramolecular Systems Clifford P. Kubiak pp 5663–5676   DOI: 10.1021/ic302331s

Differential Coordination Demands in Fe versus Mn Water-Soluble Cationic Metalloporphyrins Translate into Remarkably Different Aqueous Redox Chemistry and Biology Artak Tovmasyan, Tin Weitner, Huaxin Sheng, MiaoMiao Lu, Zrinka Rajic, David S. Warner, Ivan Spasojevic, Julio S. Reboucas, Ludmil Benov, and Ines Batinic-Haberle pp 5677–5691   DOI: 10.1021/ic3012519

Evaluation of Multisite Polypyridyl Ligands as Platforms for the Synthesis of Rh/Zn, Rh/Pd, and Rh/Pt Heterometallic Complexes Sarah K. Goforth, Richard C. Walroth, and Lisa McElwee-White pp 5692–5701   DOI: 10.1021/ic301810y   Supporting Info

Computational Design of Two-Photon Fluorescent Probes for a Zinc Ion Based on a Salen Ligand Shuang Huang, Lu-Yi Zou, Ai-Min Ren, Jing-Fu Guo, Xiao-Ting Liu, Ji-Kang Feng, and Bao-Zhu Yang pp 5702–5713   DOI: 10.1021/ic3022062   Supporting Info

Heptacoordinated Molybdenum(VI) Complexes of Phenylenediamine Bis(phenolate): A Stable Molybdenum Amidophenoxide Radical Mikko M. Hänninen, Petriina Paturi, Heikki M. Tuononen, Reijo Sillanpää, and Ari Lehtonen pp 5714–5721   DOI: 10.1021/ic302355b   Supporting Info

Bonding and Structure of Oxofluoroniobate-Based Glasses Natalia M. Laptash, Irina G. Maslennikova, Arseny B. Slobodyuk, Valery Ya. Kavun, and Vladimir K. Goncharuk pp 5722–5728   DOI: 10.1021/ic302395x   Supporting Info

Novel Imino Thioether Complexes of Platinum(II): Synthesis, Structural Investigation, and Biological Activity Paolo Sgarbossa, Silvia Mazzega Sbovata, Roberta Bertani, Mirto Mozzon, Franco Benetollo, Cristina Marzano, Valentina Gandin, and Rino A. Michelin pp 5729–5741   DOI: 10.1021/ic3024452   Supporting Info

Role of the Electronically Excited-State Hydrogen Bonding and Water Clusters in the Luminescent Metal–Organic Framework Xiao Sui, Min Ji, Xin Lan, Weihong Mi, Ce Hao, and Jieshan Qiu pp 5742–5748   DOI: 10.1021/ic400924n

Noncovalent Interactions of Metal Cations and Arenes Probed with Thallium(I) Complexes Titel Jurca, Ilia Korobkov, Serge I. Gorelsky, and Darrin S. Richeson pp 5749–5756   DOI: 10.1021/ic302552v   Supporting Info

Exploring the Color of Transition Metal Ions in Irregular Coordination Geometries: New Colored Inorganic Oxides Based on the Spiroffite Structure, Zn2–xMxTe3O8 (M = Co, Ni, Cu) S. Tamilarasan, Debajit Sarma, S. Bhattacharjee, U. V. Waghmare, S. Natarajan, and J. Gopalakrishnan pp 5757–5763   DOI: 10.1021/ic302557j   Supporting Info

Magnetic Interactions Mediated by Diamagnetic Cations in [Mn18M] (M = Sr2+, Y3+, Cd2+, and Lu3+) Coordination Clusters Ayuk M. Ako, Boris Burger, Yanhua Lan, Valeriu Mereacre, Rodolphe Clérac, Gernot Buth, Silvia Gómez-Coca, Eliseo Ruiz, Christopher E. Anson, and Annie K. Powell pp 5764–5774   DOI: 10.1021/ic3025588   Supporting Info

Re and Br X-ray Absorption Near-Edge Structure Study of the Ground and Excited States of [ReBr(CO)3(bpy)] Interpreted by DFT and TD-DFT Calculations Stanislav Záliš, Chris J. Milne, Amal El Nahhas, Ana María Blanco-Rodríguez, Renske M. van der Veen, and Antonín Vlček, Jr. pp 5775–5785   DOI: 10.1021/ic3025843   Supporting Info

Synthesis and Study of Three Novel Macrocyclic Selena[n]ferrocenophanes Containing a Naphthalene Unit Wei Ji, Su Jing, Zeyu Liu, Jing Shen, Jing Ma, Dunru Zhu, Dengke Cao, Limin Zheng, and Minxia Yao pp 5786–5793   DOI: 10.1021/ic302628y   Supporting Info

Photon-Driven Reduction of Zn2+ to Zn Metal Anthony C. Brooks, Katherine Basore, and Stefan Bernhard pp 5794–5800   DOI: 10.1021/ic302629q

Mechanism of the cis-[Pt(1R,2R-DACH)(H2O)2]2+ Intrastrand Binding to the Double-Stranded (pGpG)·(CpC) Dinucleotide in Aqueous Solution: A Computational DFT Study Zdeněk Chval, Martin Kabeláč, and Jaroslav V. Burda pp 5801–5813   DOI: 10.1021/ic302654s   Supporting Info

Catalysis of Alkene Epoxidation by a Series of Gallium(III) Complexes with Neutral N-Donor Ligands Wenchan Jiang, John D. Gorden, and Christian R. Goldsmith pp 5814–5823   DOI: 10.1021/ic400570h   Supporting Info

Structural and Magnetic Characterization of a Tetranuclear Copper(II) Cubane Stabilized by Intramolecular Metal Cation−π Interactions Raffaello Papadakis, Eric Rivière, Michel Giorgi, Hélène Jamet, Pierre Rousselot-Pailley, Marius Réglier, A. Jalila Simaan, and Thierry Tron pp 5824–5830   DOI: 10.1021/ic3027545   Supporting Info

Cs2GeB4O9: a New Second-Order Nonlinear-Optical Crystal Xiang Xu, Chun-Li Hu, Fang Kong, Jian-Han Zhang, Jiang-Gao Mao, and Junliang Sun pp 5831–5837   DOI: 10.1021/ic302774h   Supporting Info

Integrated and Passive 1,2,3-Triazolyl Groups in Fluorescent Indicators for Zinc(II) Ions: Thermodynamic and Kinetic Evaluations J. Tyler Simmons, John R. Allen, Deborah R. Morris, Ronald J. Clark, Cathy W. Levenson, Michael W. Davidson, and Lei Zhu pp 5838–5850   DOI: 10.1021/ic302798u   Supporting Info

Tris Chelating Phosphate Complexes of Bis(thio)urea Ligands Rui Li, Yanxia Zhao, Shaoguang Li, Peiju Yang, Xiaojuan Huang, Xiao-Juan Yang, and Biao Wu pp 5851–5860   DOI: 10.1021/ic3028012   Supporting Info

Mixed Si/Ge Nine-Atom Zintl Clusters: ESI Mass Spectrometric Investigations and Single-Crystal Structure Determination of Paramagnetic [Si9–xGex]3– Markus Waibel and Thomas F. Fässler pp 5861–5866   DOI: 10.1021/ic302802h   Supporting Info

Emissive Osmium(II) Complexes with Tetradentate Bis(pyridylpyrazolate) Chelates Shih-Han Chang, Chun-Fu Chang, Jia-Ling Liao, Yun Chi, Dong-Ying Zhou, Liang-Sheng Liao, Tzung-Ying Jiang, Tsao-Pei Chou, Elise Y. Li, Gene-Hsiang Lee, Ting-Yi Kuo, and Pi-Tai Chou pp 5867–5875   DOI: 10.1021/ic302829e   Supporting Info

General Strategy for the Synthesis of Rigid Weak-Link Approach Platinum(II) Complexes: Tweezers, Triple-Layer Complexes, and Macrocycles Robert D. Kennedy, Charles W. Machan, C. Michael McGuirk, Mari S. Rosen, Charlotte L. Stern, Amy A. Sarjeant, and Chad A. Mirkin pp 5876–5888   DOI: 10.1021/ic302855f   Supporting Info

Solid State Molecular Device Based on a Rhenium(I) Polypyridyl Complex Immobilized on TiO2 Films Antonio Otavio T. Patrocinio, Karina P. M. Frin, and Neyde Y. Murakami Iha pp 5889–5896   DOI: 10.1021/ic3028572   Supporting Info

Enhanced Vapor-Phase Processing in Fluorinated Fe4 Single-Molecule Magnets Luca Rigamonti, Marco Piccioli, Luigi Malavolti, Lorenzo Poggini, Matteo Mannini, Federico Totti, Brunetto Cortigiani, Agnese Magnani, Roberta Sessoli, and Andrea Cornia pp 5897–5905   DOI: 10.1021/ic400037c   Supporting Info

Reactivity of a Bis(amidinato)iron(II) Complex [Fe(MesC(NPri)2)2] toward Some Oxidizing Reagents Long Zhang, Li Xiang, Yihua Yu, and Liang Deng pp 5906–5913   DOI: 10.1021/ic400053g   Supporting Info

Well-Designed Strategy To Construct Helical Silver(I) Coordination Polymers from Flexible Unsymmetrical Bis(pyridyl) Ligands: Syntheses, Structures, and Properties Zhu-Yan Zhang, Zhao-Peng Deng, Li-Hua Huo, Hui Zhao, and Shan Gao pp 5914–5923   DOI: 10.1021/ic400055t   Supporting Info

Porous Titania with Heavily Self-Doped Ti3+ for Specific Sensing of CO at Room Temperature Juan Su, Xiao-Xin Zou, Yong-Cun Zou, Guo-Dong Li, Pei-Pei Wang, and Jie-Sheng Chen pp 5924–5930   DOI: 10.1021/ic400109j   Supporting Info

Molybdenum 17- and 18-Electron Bis- and Tris(Butadiene) Complexes: Electronic Structures, Spectroscopic Properties, and Oxidative Ligand Substitution Reactions Gerald C. Stephan, Christian Näther, Gerhard Peters, and Felix Tuczek pp 5931–5942   DOI: 10.1021/ic400145f   Supporting Info

Electrical Bistability around Room Temperature in an Unprecedented One-Dimensional Coordination Magnetic Polymer Pilar Amo-Ochoa, Esther Delgado, Carlos J. Gómez-García, Diego Hernández, Elisa Hernández, Avelino Martin, and Félix Zamora pp 5943–5950   DOI: 10.1021/ic400158q   Supporting Info

Mono- and Polynuclear Copper(II) Complexes of Alloferons 1 with Point Mutations (H6A) and (H12A): Stability Structure and Cytotoxicity Mariola Kuczer, Marta Błaszak, Elzbieta Czarniewska, Grzegorz Rosiński, and Teresa Kowalik-Jankowska pp 5951–5961   DOI: 10.1021/ic400160d   Supporting Info

Computational Study of the Initial Stage of Diborane Pyrolysis Baili Sun and Michael L. McKee pp 5962–5969   DOI: 10.1021/ic4001957   Supporting Info

Synthesis, Electrochemistry, and Reactivity of Cerium(III/IV) Methylene-Bis-Phenolate Complexes Brian D. Mahoney, Nicholas A. Piro, Patrick J. Carroll, and Eric J. Schelter pp 5970–5977   DOI: 10.1021/ic400202r   Supporting Info

A Series of Tetrathiafulvalene-Based Lanthanide Complexes Displaying Either Single Molecule Magnet or Luminescence—Direct Magnetic and Photo-Physical Correlations in the Ytterbium Analogue Fabrice Pointillart, Boris Le Guennic, Thomas Cauchy, Stéphane Golhen, Olivier Cador, Olivier Maury, and Lahcène Ouahab pp 5978–5990   DOI: 10.1021/ic400253m   Supporting Info

Surface Modification of Al30 Keggin-Type Polyaluminum Molecular Clusters Samangi Abeysinghe, Daniel K. Unruh, and Tori Z. Forbes pp 5991–5999   DOI: 10.1021/ic400321k   Supporting Info

Thermal Spin Crossover and LIESST Effect Observed in Complexes [Fe(LCh)2(NCX)2] [LCh = 2,5-Di(2-Pyridyl)-1,3,4-Chalcadiazole; Ch = O, S, Se; X = S, Se, BH3] Julia Klingele, Dominic Kaase, Maximilian Schmucker, Yanhua Lan, Guillaume Chastanet, and Jean-François Létard pp 6000–6010   DOI: 10.1021/ic400342m   Supporting Info

Exploring a New Structure Family: Alkali Borosulfates Na5[B(SO4)4], A3[B(SO4)3] (A = K, Rb), Li[B(SO4)2], and Li[B(S2O7)2] Michael Daub, Karolina Kazmierczak, Peter Gross, Henning Höppe, and Harald Hillebrecht pp 6011–6020   DOI: 10.1021/ic400267s   Supporting Info

Lanthanide Clusters with Azide Capping Ligands Brian F. Moore, Thomas J. Emge, and John G. Brennan pp 6021–6027   DOI: 10.1021/ic400359x   Supporting Info

Revisiting the Spectroscopy of the Bi3+ Ion in Oxide Compounds Philippe Boutinaud pp 6028–6038   DOI: 10.1021/ic400382k

High-Pressure Synthesis and Superconductivity of the Laves Phase Compound Ca(Al,Si)2 Composed of Truncated Tetrahedral Cages Ca@(Al,Si)12 Masashi Tanaka, Shuai Zhang, Kei Inumaru, and Shoji Yamanaka pp 6039–6045   DOI: 10.1021/ic400395n   Supporting Info

Trans and Cis Influences in Hypervalent Iodine(III) Complexes: A DFT Study P. K. Sajith and Cherumuttathu H. Suresh pp 6046–6054   DOI: 10.1021/ic400399v   Supporting Info

3d Element Complexes of Pentadentate Bipyridine-Pyridine-Based Ligand Scaffolds: Structures and Photocatalytic Activities Cyril Bachmann, Miguel Guttentag, Bernhard Spingler, and Roger Alberto pp 6055–6061   DOI: 10.1021/ic4004017   Supporting Info

Pyridinophane Platform for Stable Lanthanide(III) Complexation Goretti Castro, Rufina Bastida, Alejandro Macías, Paulo Pérez-Lourido, Carlos Platas-Iglesias, and Laura Valencia pp 6062–6072   DOI: 10.1021/ic400389d   Supporting Info

Impact of Mn3+ upon Structure and Magnetism of the Perovskite Derivative Pb2–xBaxFeMnO5 (x 0.7) N. Barrier, O. I. Lebedev, Md. Motin Seikh, F. Porcher, and B. Raveau pp 6073–6082   DOI: 10.1021/ic400426m   Supporting Info

Structure and Magnetic Properties of Cu3Ni2SbO6 and Cu3Co2SbO6 Delafossites with Honeycomb Lattices J. H. Roudebush, N. H. Andersen, R. Ramlau, V. O. Garlea, R. Toft-Petersen, P. Norby, R. Schneider, J. N. Hay, and R. J. Cava pp 6083–6095   DOI: 10.1021/ic400415h   Supporting Info

Sr2FeO3 with Stacked Infinite Chains of FeO4 Square Planes Cédric Tassel, Liis Seinberg, Naoaki Hayashi, Subodh Ganesanpotti, Yoshitami Ajiro, Yoji Kobayashi, and Hiroshi Kageyama pp 6096–6102   DOI: 10.1021/ic400444u   Supporting Info

Redox-Active Behavior of the [{Ti(η5-C5Me5)(μ-NH)}3(μ3-N)] Metalloligand Jorge Caballo, Jorge J. Carbó, Miguel Mena, Adrián Pérez-Redondo, Josep-M. Poblet, and Carlos Yélamos pp 6103–6109   DOI: 10.1021/ic400463a   Supporting Info

Solid State Structure of Bi(N3)3, Bi(N3)3·Solvates and the Structural Dynamics in the [Bi(N3)6]3– Anion Kati Rosenstengel, Axel Schulz, and Alexander Villinger pp 6110–6126   DOI: 10.1021/ic400493v   Supporting Info

Precession Electron Diffraction Tomography for Solving Complex Modulated Structures: the Case of Bi5Nb3O15 Philippe Boullay, Lukas Palatinus, and Nicolas Barrier pp 6127–6135   DOI: 10.1021/ic400529s   Supporting Info

Sr3BeB6O13: A New Borate in the SrO/BeO/B2O3 System with Novel Tri-Six-Membered Ring (BeB6O15)10– Building Block Wenjiao Yao, Hongwei Huang, Jiyong Yao, Tao Xu, Xingxing Jiang, Zheshuai Lin, and Chuangtian Chen pp 6136–6141   DOI: 10.1021/ic400515m   Supporting Info

Exploring the Scope of a Novel Ligand Class: Synthesis and Catalytic Examination of Metal Complexes with ‘Normal’ 1,2,3-Triazolylidene Ligands Lars-Arne Schaper, Lilian Graser, Xuhui Wei, Rui Zhong, Karl Öfele, Alexander Pöthig, Mirza Cokoja, Bettina Bechlars, Wolfgang A. Herrmann, and Fritz E. Kühn pp 6142–6152   DOI: 10.1021/ic400533u   Supporting Info

Interaction between Platinum Complexes and the C-Terminal Motif of Human Copper Transporter 1 Erqiong Wang, Zhaoyong Xi, Yan Li, Lianzhi Li, Linhong Zhao, Guolin Ma, and Yangzhong Liu pp 6153–6159   DOI: 10.1021/ic400495w   Supporting Info

Syntheses, Structures, and Magnetic Properties of Acetato- and Diphenolato-Bridged 3d–4f Binuclear Complexes [M(3-MeOsaltn)(MeOH)x(ac)Ln(hfac)2] (M = ZnII, CuII, NiII, CoII; Ln = LaIII, GdIII, TbIII, DyIII; 3-MeOsaltn = N,N′-Bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato; ac = Acetato; hfac = Hexafluoroacetylacetonato; x = 0 or 1) Masaaki Towatari, Koshiro Nishi, Takeshi Fujinami, Naohide Matsumoto, Yukinari Sunatsuki, Masaaki Kojima, Naotaka Mochida, Takayuki Ishida, Nazzareno Re, and Jerzy Mrozinski pp 6160–6178   DOI: 10.1021/ic400594u   Supporting Info

Crystal Growth, Structure, Polarization, and Magnetic Properties of Cesium Vanadate, Cs2V3O8: A Structure–Property Study Jeongho Yeon, Athena S. Sefat, T. Thao Tran, P. Shiv Halasyamani, and Hans-Conrad zur Loye pp 6179–6186   DOI: 10.1021/ic400601n   Supporting Info

Identifying Nanoscale M13 Clusters in the Solid State and Aqueous Solution: Vibrational Spectroscopy and Theoretical Studies Milton N. Jackson, Jr., Lindsay A. Wills, I-Ya Chang, Matthew E. Carnes, Lawrence F. Scatena, Paul Ha-Yeon Cheong, and Darren W. Johnson pp 6187–6192   DOI: 10.1021/ic400611z   Supporting Info

Asymmetric Transfer Hydrogenation of Ketones Catalyzed by Enantiopure Osmium(II) Pybox Complexes Esmeralda Vega, E. Lastra, and M. Pilar Gamasa pp 6193–6198   DOI: 10.1021/ic400680r   Supporting Info

POP-Pincer Osmium-Polyhydrides: Head-to-Head (Z)-Dimerization of Terminal Alkynes Joaquín Alós, Tamara Bolaño, Miguel A. Esteruelas, Montserrat Oliván, Enrique Oñate, and Marta Valencia pp 6199–6213   DOI: 10.1021/ic400730a   Supporting Info

Illustrating the Processability of Magnetic Layered Double Hydroxides: Layer-by-Layer Assembly of Magnetic Ultrathin Films E. Coronado, C. Martí-Gastaldo, E. Navarro-Moratalla, A. Ribera, and S. Tatay pp 6214–6222   DOI: 10.1021/ic400734t   Supporting Info

Click-Like Reactions with the Inert HCB11Cl11– Anion Lead to Carborane-Fused Heterocycles with Unusual Aromatic Character James H. Wright, II, Christos E. Kefalidis, Fook S. Tham, Laurent Maron, and Vincent Lavallo pp 6223–6229   DOI: 10.1021/ic400786a   Supporting Info

Correction to First Ruthenium(II) Polypyridyl Complex As a True Molecular “Light Switch” for Triplex RNA Structure: [Ru(phen)2(mdpz)]2+ Enhances the Stability of Poly(U)·Poly(A)*Poly(U) Li-Feng Tan, Jing Liu, Jian-Liang Shen, Xiao-hua Liu, Le-Li Zeng, and Lian-He Jin pp 6230–6230   DOI: 10.1021/ic401063b

Correction to 2,2′-Pyridylpyrrolide Ligand Redistribution Following Reduction Keith Searles, Atanu K. Das, René W. Buell, Maren Pink, Chun-Hsing Chen, Kuntal Pal, David Gene Morgan, Daniel J. Mindiola, and Kenneth G. Caulton pp 6231–6231   DOI: 10.1021/ic401081m   Supporting Info

Issue 11

Programmed Self-Assembly of Heterometallic [3 × 3] Grid [MIICuII4CuI4] (M = Fe, Ni, Cu, and Zn) Xin Bao, Wei Liu, Ling-Ling Mao, Shang-Da Jiang, Jun-Liang Liu, Yan-Cong Chen, and Ming-Liang Tong pp 6233–6235   DOI: 10.1021/ic302808m   Supporting Info

Na1.4InTe3.6O9.4: New Variant of a Hexagonal Tungsten Oxide (HTO)-Like Layered Framework Containing Both a Main-Group Cation, In3+, and a Lone-Pair Cation, Te4+ Dong Woo Lee and Kang Min Ok pp 6236–6238   DOI: 10.1021/ic4009152   Supporting Info

New Molecular Motif for Recognizing Sialic Acid Using Emissive Lanthanide–Macrocyclic Polyazacarboxylate Complexes: Deprotonation of a Coordinated Water Molecule Controls Specific Binding Kazuki Ouchi, Shingo Saito, and Masami Shibukawa pp 6239–6241   DOI: 10.1021/ic400725a   Supporting Info

Facile Assembly of an Unusual Lead Borate with Different Cluster Building Units via a Hydrothermal Process Han-Rui Tian, Wen-Hua Wang, Yan-E Gao, Ting-Ting Deng, Jia-Ying Wang, Yun-Long Feng, and Jian-Wen Cheng pp 6242–6244   DOI: 10.1021/ic400752y   Supporting Info

Hybrid Uranyl Arsonate Coordination Nanocages Pius O. Adelani, Ginger E. Sigmon, and Peter C. Burns pp 6245–6247   DOI: 10.1021/ic400827h   Supporting Info

Mechanisms of Reactions of Open-Shell, Heavier Group 14 Derivatives with Small Molecules: n−π* Back-Bonding in Isocyanide Complexes, C–H Activation under Ambient Conditions, CO Coupling, and Ancillary Molecular Interactions† This Award Article summarizes, including more recent results, one of the themes of a lecture presented on March 26th, 2012, at the 243rd Chemical Society National Meeting American in San Diego, CA, in receipt of the 2012 Award in Organometallic Chemistry sponsored by the Dow Corporation. Zachary D. Brown and Philip P. Power pp 6248–6259   DOI: 10.1021/ic4007058

Mechanism Elucidation of the cis–trans Isomerization of an Azole Ruthenium–Nitrosyl Complex and Its Osmium Counterpart Anatolie Gavriluta, Gabriel E. Büchel, Leon Freitag, Ghenadie Novitchi, Jean Bernard Tommasino, Erwann Jeanneau, Paul-Steffen Kuhn, Leticia González, Vladimir B. Arion, and Dominique Luneau pp 6260–6272   DOI: 10.1021/ic4004824   Supporting Info

Striking Difference in Antiproliferative Activity of Ruthenium- and Osmium-Nitrosyl Complexes with Azole Heterocycles Gabriel E. Büchel, Anatolie Gavriluta, Maria Novak, Samuel M. Meier, Michael A. Jakupec, Olesea Cuzan, Constantin Turta, Jean-Bernard Tommasino, Erwann Jeanneau, Ghenadie Novitchi, Dominique Luneau, and Vladimir B. Arion pp 6273–6285   DOI: 10.1021/ic400555k   Supporting Info

Sensitivity of X-ray Core Spectroscopy to Changes in Metal Ligation: A Systematic Study of Low-Coordinate, High-Spin Ferrous Complexes P. Chandrasekaran, Karen P. Chiang, Dennis Nordlund, Uwe Bergmann, Patrick L. Holland, and Serena DeBeer pp 6286–6298   DOI: 10.1021/ic3021723   Supporting Info

Efficient Enhancement of the Visible-Light Absorption of Cyclometalated Ir(III) Complexes Triplet Photosensitizers with Bodipy and Applications in Photooxidation and Triplet–Triplet Annihilation Upconversion Jifu Sun, Fangfang Zhong, Xiuyu Yi, and Jianzhang Zhao pp 6299–6310   DOI: 10.1021/ic302210b   Supporting Info

Turning on Lanthanide Luminescence via Nanoencapsulation Boris Makhinson, Alexandra K. Duncan, Ashley R. Elam, Ana de Bettencourt-Dias, Colin D. Medley, Joshua E. Smith, and Eric J. Werner pp 6311–6318   DOI: 10.1021/ic3022722   Supporting Info

Excited-State Characteristics of Tetracyanidonitridorhenium(V) and -technetium(V) Complexes with N-Heteroaromatic Ligands Hayato Ikeda, Akitaka Ito, Eri Sakuda, Noboru Kitamura, Tsutomu Takayama, Tsutomu Sekine, Atsushi Shinohara, and Takashi Yoshimura pp 6319–6327   DOI: 10.1021/ic302463v   Supporting Info

Interplay of Strongly Anisotropic Metal Ions in Magnetic Blocking of Complexes Liviu Ungur, Maarten Thewissen, Jean-Pierre Costes, Wolfgang Wernsdorfer, and Liviu F. Chibotaru pp 6328–6337   DOI: 10.1021/ic302568x   Supporting Info

Photoluminescent 3D Lanthanide–Organic Frameworks Based on 2,5-Dioxo-1,4-piperazinylbis(methylphosphonic) Acid Formed via in Situ Cyclodehydration of Glyphosates Yunshan Zhou, Yan Guo, Sheng Xu, Lijuan Zhang, Waqar Ahmad, and Zonghai Shi pp 6338–6345   DOI: 10.1021/ic302821w   Supporting Info

Rhombus-Shaped Tetranuclear [Ln4] Complexes [Ln = Dy(III) and Ho(III)]: Synthesis, Structure, and SMM Behavior Vadapalli Chandrasekhar, Sakiat Hossain, Sourav Das, Sourav Biswas, and Jean-Pascal Sutter pp 6346–6353   DOI: 10.1021/ic302848k   Supporting Info

Mechanisms of Photoisomerization and Water-Oxidation Catalysis of Mononuclear Ruthenium(II) Monoaquo Complexes Masanari Hirahara, Mehmed Z. Ertem, Manabu Komi, Hirosato Yamazaki, Christopher J. Cramer, and Masayuki Yagi pp 6354–6364   DOI: 10.1021/ic400054k   Supporting Info

Synthesis and Characterization of [MIII(PS)2(L)] Mixed-Ligand Compounds (M = Re, 99Tc; PS = Phosphinothiolate; L = Dithiocarbamate) as Potential Models for the Development of New Agents for SPECT Imaging and Radiotherapy N. Salvarese, N. Morellato, A. Venzo, F. Refosco, A. Dolmella, and C. Bolzati pp 6365–6377   DOI: 10.1021/ic400094s   Supporting Info

Amidrazone Complexes from a Cascade Platinum(II)-Mediated Reaction between Amidoximes and Dialkylcyanamides Dmitrii S. Bolotin, Nadezhda A. Bokach, Andreii S. Kritchenkov, Matti Haukka, and Vadim Yu. Kukushkin pp 6378–6389   DOI: 10.1021/ic4000878   Supporting Info

Fabrication of Novel p-BiOI/n-ZnTiO3 Heterojunction for Degradation of Rhodamine 6G under Visible Light Irradiation K. Hemalata Reddy, Satyabadi Martha, and K.M. Parida pp 6390–6401   DOI: 10.1021/ic400159m

Lithium and Calcium Carbides with Polymeric Carbon Structures Daryn Benson, Yanling Li, Wei Luo, Rajeev Ahuja, Gunnar Svensson, and Ulrich Häussermann pp 6402–6406   DOI: 10.1021/ic4002219   Supporting Info

Syntheses, Structures, and Magnetic Properties of seven-coordinate Lanthanide Porphyrinate or Phthalocyaninate Complexes with Kläui’s Tripodal Ligand Feng Gao, Min-Xia Yao, Yu-Yang Li, Yi-Zhi Li, You Song, and Jing-Lin Zuo pp 6407–6416   DOI: 10.1021/ic400245n   Supporting Info

Controlled Synthesis of Racemic Indenyl Rare-Earth Metal Complexes via the Cooperation between the Intramolecular Coordination of Donor Atoms and a Bridge Shuangliu Zhou, Zhangshuan Wu, Lingmin Zhou, Shaowu Wang, Lijun Zhang, Xiancui Zhu, Yun Wei, Jinhua Zhai, and Jie Wu pp 6417–6426   DOI: 10.1021/ic4003109   Supporting Info

Synthesis of Novel Polyazacryptands for Recognition of Tetrahedral Oxoanions and Their X-ray Structures Debasish Jana, Ganesan Mani, and Carola Schulzke pp 6427–6439   DOI: 10.1021/ic400319b   Supporting Info

Novel Soft-Chemistry Route of Ag2Mo3O10·2H2O Nanowires and in Situ Photogeneration of a Ag@Ag2Mo3O10·2H2O Plasmonic Heterostructure Khadija Hakouk, Philippe Deniard, Luc Lajaunie, Catherine Guillot-Deudon, Sylvie Harel, Zeyan Wang, Baibiao Huang, Hyun-Joo Koo, Myung-Hwan Whangbo, Stéphane Jobic, and Rémi Dessapt pp 6440–6449   DOI: 10.1021/ic400343v   Supporting Info

Solvent-Mediated Crystal-to-Crystal Interconversion between Discrete Lanthanide Complexes and One-Dimensional Coordination Polymers and Selective Sensing for Small Molecules Jin-Ji Wu, Yu-Xin Ye, Ying-Yu Qiu, Zheng-Ping Qiao, Man-Li Cao, and Bao-Hui Ye pp 6450–6456   DOI: 10.1021/ic400340y   Supporting Info

Architectural Spiroligomers Designed for Binuclear Metal Complex Templating Shivaiah Vaddypally, Chongsong Xu, Senzhi Zhao, Yanfeng Fan, Christian E. Schafmeister, and Michael J. Zdilla pp 6457–6463   DOI: 10.1021/ic4003498   Supporting Info

Monometallic Osmium(II) Complexes with Bis(N-methylbenzimidazolyl)benzene or -pyridine: A Comparison Study with Ruthenium(II) Analogues Jiang-Yang Shao and Yu-Wu Zhong pp 6464–6472   DOI: 10.1021/ic400385b   Supporting Info

Synthesis of New Gold(I) Thiolates Containing Amino Acid Moieties with Potential Biological Interest Alejandro Gutiérrez, Javier Bernal, M. Dolores Villacampa, Carlos Cativiela, Antonio Laguna, and M. Concepción Gimeno pp 6473–6480   DOI: 10.1021/ic4003803   Supporting Info

Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups Peter Comba, Michael Morgen, and Hubert Wadepohl pp 6481–6501   DOI: 10.1021/ic4004214   Supporting Info

Functionalized N-Heterocyclic Carbene Nonspectator Ligands upon Internal Alkyne Activation Reactions Francys E. Fernández, María del Carmen Puerta, and Pedro Valerga pp 6502–6509   DOI: 10.1021/ic400433z   Supporting Info

Pseudo-symmetry Analysis of the d-block Molecular Orbitals in Four-Coordinate Complexes Andrés Falceto, David Casanova, Pere Alemany, and Santiago Alvarez pp 6510–6519   DOI: 10.1021/ic4004774   Supporting Info

Lattice-Matched Transition Metal Disulfide Intergrowths: The Metallic Conductors Ag2Te(MS2)3 (M = V, Nb) Sandy L. Nguyen, Christos D. Malliakas, Melanie C. Francisco, and Mercouri G. Kanatzidis pp 6520–6532   DOI: 10.1021/ic400483d   Supporting Info

New Ag(I)–Iminophosphorane Coordination Polymers as Efficient Catalysts Precursors for the MW-Assisted Meyer–Schuster Rearrangement of Propargylic Alcohols in Water Joaquín García-Álvarez, Josefina Díez, Cristian Vidal, and Cristian Vicent pp 6533–6542   DOI: 10.1021/ic400511d   Supporting Info

CuII and CuI Coordination Complexes Involving Two Tetrathiafulvalene-1,3-benzothiazole Hybrid Ligands and Their Radical Cation Salts Sayo Yokota, Keijiro Tsujimoto, Sadayoshi Hayashi, Fabrice Pointillart, Lahcène Ouahab, and Hideki Fujiwara pp 6543–6550   DOI: 10.1021/ic4005246   Supporting Info

Organoimido-Derivatized Hexamolybdates with a Remote Carboxyl Group: Syntheses and Structural Characterizations Guohui Sima, Qiang Li, Yi Zhu, Chunlin Lv, Rao Naumaan Nasim Khan, Jian Hao, Jin Zhang, and Yongge Wei pp 6551–6558   DOI: 10.1021/ic4005278   Supporting Info

New Type of Single Chain Magnet: Pseudo-One-Dimensional Chain of High-Spin Co(II) Exhibiting Ferromagnetic Intrachain Interactions V. Tangoulis, M. Lalia-Kantouri, M. Gdaniec, Ch. Papadopoulos, V. Miletic, and A. Czapik pp 6559–6569   DOI: 10.1021/ic400557f   Supporting Info

Electronic Properties of [Core+exo]-type Gold Clusters: Factors Affecting the Unique Optical Transitions Yukatsu Shichibu and Katsuaki Konishi pp 6570–6575   DOI: 10.1021/ic4005592   Supporting Info

Bonding and Activation of N2 in Mo(0) Complexes Supported by Hybrid Tripod Ligands with Mixed Dialkylphosphine/Diarylphosphine Donor Groups: Interplay of Steric and Electronic Factors Ludger Söncksen, Christian Gradert, Jan Krahmer, Christian Näther, and Felix Tuczek pp 6576–6589   DOI: 10.1021/ic400582v   Supporting Info

Ambient Heat Capacities and Entropies of Ionic Solids: A Unique View Using the Debye Equation Leslie Glasser pp 6590–6594   DOI: 10.1021/ic400617u   Supporting Info

Tetranuclear [MDy]2 Compounds and Their Dinuclear [MDy] (M = Zn/Cu) Building Units: Their Assembly, Structures, and Magnetic Properties Peng Zhang, Li Zhang, Shuang-Yan Lin, and Jinkui Tang pp 6595–6602   DOI: 10.1021/ic400620j   Supporting Info

Disorder–Order Structural Transformation in Electron-Poor Sr3Au8Sn3 Driven by Chemical Bonding Optimization Qisheng Lin, Jordan Vetter, and John D. Corbett pp 6603–6609   DOI: 10.1021/ic400626x   Supporting Info

Antimony Tartrate Transition-Metal–Oxo Chiral Clusters Qiang Gao, Xiqu Wang, Joshua Tapp, Angela Moeller, and Allan J. Jacobson pp 6610–6616   DOI: 10.1021/ic4006345   Supporting Info

Probing the Electronic Structure and Chemical Bonding in Tricoordinate Uranyl Complexes UO2X3– (X = F, Cl, Br, I): Competition between Coulomb Repulsion and U–X Bonding Jing Su, Phuong Diem Dau, Yi-Heng Qiu, Hong-Tao Liu, Chao-Fei Xu, Dao-Ling Huang, Lai-Sheng Wang, and Jun Li pp 6617–6626   DOI: 10.1021/ic4006482   Supporting Info

A Comparative Study on Dinuclear and Multinuclear Ni(II), Pd(II), and Pt(II) Complexes of a Thiolato-Functionalized, Benzannulated N-Heterocyclic Carbene Ligand Dan Yuan and Han Vinh Huynh pp 6627–6634   DOI: 10.1021/ic400672z   Supporting Info

trans-Thionate Derivatives of Pt(II) and Pd(II) with Water-Soluble Phosphane PTA and DAPTA Ligands: Antiproliferative Activity against Human Ovarian Cancer Cell Lines Elena Guerrero, Susana Miranda, Sebastian Lüttenberg, Nils Fröhlich, Jan-Moritz Koenen, Fabian Mohr, Elena Cerrada, Mariano Laguna, and Aránzazu Mendía pp 6635–6647   DOI: 10.1021/ic4006746   Supporting Info

La3Ni2SbO9: a Relaxor Ferromagnet Peter D. Battle, Sophie I. Evers, Emily C. Hunter, and Mark Westwood pp 6648–6653   DOI: 10.1021/ic400675r   Supporting Info

Bis(toluene)chromium(I) [1,2,5]Thiadiazolo[3,4-c][1,2,5]thiadiazolidyl and [1,2,5]Thiadiazolo[3,4-b]pyrazinidyl: New Heterospin (S1 = S2 = 1/2) Radical-Ion Salts Nikolay A. Semenov, Nikolay A. Pushkarevsky, Elizaveta A. Suturina, Elena A. Chulanova, Natalia V. Kuratieva, Artem S. Bogomyakov, Irina G. Irtegova, Nadezhda V. Vasilieva, Lidia S. Konstantinova, Nina P. Gritsan, Oleg A. Rakitin, Victor I. Ovcharenko, Sergey N. Konchenko, and Andrey V. Zibarev pp 6654–6663   DOI: 10.1021/ic400659q   Supporting Info

Synthesis, Characterization, Protonation Reactions, and Electrochemistry of Substituted Open-Chain Pentapyrroles and Sapphyrins in Nonaqueous Media Mingzhu Yuan, Zhongping Ou, Yuanyuan Fang, Shi Huang, Zhaoli Xue, Guifen Lu, and Karl M. Kadish pp 6664–6673   DOI: 10.1021/ic4006955   Supporting Info

Substituent Effects on the Electrochemical, Spectroscopic, and Structural Properties of Fischer Mono- and Biscarbene Complexes of Chromium(0) Belinda van der Westhuizen, Pieter J. Swarts, Louise M. van Jaarsveld, David C. Liles, Uwe Siegert, Jannie C. Swarts, Israel Fernández, and Daniela I. Bezuidenhout pp 6674–6684   DOI: 10.1021/ic4007422   Supporting Info

‘Click’ Synthesis and Redox Properties of Triazolyl Cobalticinium Dendrimers Amalia Rapakousiou, Yanlan Wang, Colette Belin, Noël Pinaud, Jaime Ruiz, and Didier Astruc pp 6685–6693   DOI: 10.1021/ic400747y   Supporting Info

Cyclometalated Iridium Complexes of Bis(Aryl) Phosphine Ligands: Catalytic C–H/C–D Exchanges and C–C Coupling Reactions Jesús Campos, María F. Espada, Joaquín López-Serrano, and Ernesto Carmona pp 6694–6704   DOI: 10.1021/ic400759r   Supporting Info

Supraicosahedral Polyhedra in Metallaboranes: Synthesis and Structural Characterization of 12-, 15-, and 16-Vertex Rhodaboranes Dipak Kumar Roy, Bijan Mondal, Pritam Shankhari, R. S. Anju, K. Geetharani, Shaikh M. Mobin, and Sundargopal Ghosh pp 6705–6712   DOI: 10.1021/ic400761z   Supporting Info

Synthesis, Crystal Structure, and Physical Properties of Sr2FeOsO6 Avijit Kumar Paul, Martin Jansen, Binghai Yan, Claudia Felser, Manfred Reehuis, and Paula M. Abdala pp 6713–6719   DOI: 10.1021/ic400740f   Supporting Info

Coordination Polymers Based on Heterohexanuclear Rare Earth Complexes: Toward Independent Luminescence Brightness and Color Tuning François Le Natur, Guillaume Calvez, Carole Daiguebonne, Olivier Guillou, Kevin Bernot, James Ledoux, Laurent Le Pollès, and Claire Roiland pp 6720–6730   DOI: 10.1021/ic4008697   Supporting Info

Self-Assembled Ln(III)4 (Ln = Eu, Gd, Dy, Ho, Yb) [2 × 2] Square Grids: a New Class of Lanthanide Cluster Nicholas M. Randell, Muhammad U. Anwar, Marcus W. Drover, Louise N. Dawe, and Laurence K. Thompson pp 6731–6742   DOI: 10.1021/ic4008813   Supporting Info

Ancillary Ligand Effects upon Dithiolene Redox Noninnocence in Tungsten Bis(dithiolene) Complexes Yong Yan, Christopher Keating, Perumalreddy Chandrasekaran, Upul Jayarathne, Joel T. Mague, Serena DeBeer, Kyle M. Lancaster, Stephen Sproules, Igor V. Rubtsov, and James P. Donahue pp 6743–6751   DOI: 10.1021/ic4009174   Supporting Info

Hydroxamate Anchors for Improved Photoconversion in Dye-Sensitized Solar Cells Timothy P. Brewster, Steven J. Konezny, Stafford W. Sheehan, Lauren A. Martini, Charles A. Schmuttenmaer, Victor S. Batista, and Robert H. Crabtree pp 6752–6764   DOI: 10.1021/ic4010856   Supporting Info

Correction to Serendipitous Assemblies of Two Large Phosphonate Cages: A Co15 Distorted Molecular Cube and a Co12 Butterfly Type Core Structure Javeed Ahmad Sheikh, Soumyabrata Goswami, Amit Adhikary, and Sanjit Konar pp 6765–6765   DOI: 10.1021/ic401077v   Supporting Info

Issue 12

Inelastic X-ray Scattering of a Transition-Metal Complex (FeCl4–): Vibrational Spectroscopy for All Normal Modes Weibing Dong, Hongxin Wang, Marilyn M. Olmstead, James C. Fettinger, Jay Nix, Hiroshi Uchiyama, Satoshi Tsutsui, Alfred Q. R. Baron, Eric Dowty, and Stephen P. Cramer pp 6767–6769   DOI: 10.1021/ic400353j   Supporting Info

Plutonium(IV) Cluster with a Hexanuclear [Pu6(OH)4O4]12+ Core Karah E. Knope and L. Soderholm pp 6770–6772   DOI: 10.1021/ic4007185   Supporting Info

Chiral Induction in the Ionothermal Synthesis of a 3D Chiral Heterometallic Metal–Organic Framework Constructed from Achiral 1,4-Naphthalenedicarboxylate Qing-Yan Liu, Wei-Lu Xiong, Cai-Ming Liu, Yu-Ling Wang, Jia-Jia Wei, Zuo-Juan Xiahou, and Li-Hua Xiong pp 6773–6775   DOI: 10.1021/ic400853r   Supporting Info

Molecular Tectonics: Control of the Dimensionality in Tetramercaptothiacalixarenes Based Coordination Networks A. Ovsyannikov, S. Ferlay, S. E. Solovieva, I. S. Antipin, A. I. Konovalov, N. Kyritsakas, and M. W. Hosseini pp 6776–6778   DOI: 10.1021/ic400899m   Supporting Info

Organopalladium Complexes of Oxacalixarenes: Selecting the Lid for the Three-Dimensional Scaffold Yulia Visitaev, Israel Goldberg, and Arkadi Vigalok pp 6779–6781   DOI: 10.1021/ic400925y   Supporting Info

Synthesis and Crystal Structure of a “FeBi” Cluster Compound with Noncovalent Low-Valent Bi···πArene Interactions Kirill Yu. Monakhov, Christophe Gourlaouen, Thomas Zessin, and Gerald Linti pp 6782–6784   DOI: 10.1021/ic401001f   Supporting Info

Intramolecular Nucleophilic Addition to the 2 Position of Coordinated 2,2′-Bipyridine by a Deprotonated Dimethyl Sulfide Ligand Rebeca Arévalo, Julio Pérez, and Lucía Riera pp 6785–6787   DOI: 10.1021/ic401065h   Supporting Info

In Situ Structural Characterization of Ferric Iron Dimers in Aqueous Solutions: Identification of μ-Oxo Species Mengqiang Zhu, Brendan W. Puls, Cathrine Frandsen, James D. Kubicki, Hengzhong Zhang, and Glenn A. Waychunas pp 6788–6797   DOI: 10.1021/ic302053w   Supporting Info

Copper Chalcogenide Clusters Stabilized with Ferrocene-Based Diphosphine Ligands Chhatra B. Khadka, Bahareh Khalili Najafabadi, Mahdi Hesari, Mark S. Workentin, and John F. Corrigan pp 6798–6805   DOI: 10.1021/ic3021854   Supporting Info

Synthesis and Lewis Acid Properties of (ReO3F)∞ and the X-ray Crystal Structures of (HF)2ReO3F·HF and [N(CH3)4]2-[{ReO3(μ-F)}3(μ3-O)]·CH3CN Maria V. Ivanova, Tobias Köchner, Hélène P. A. Mercier, and Gary J. Schrobilgen pp 6806–6819   DOI: 10.1021/ic302221y   Supporting Info

Synthesis, Structural Characterization, and Photophysical, Spectroelectrochemical, and Anion-Sensing Studies of Heteroleptic Ruthenium(II) Complexes Derived from 4′-Polyaromatic-Substituted Terpyridine Derivatives and 2,6-Bis(benzimidazol-2-yl)pyridine Dinesh Maity, Shyamal Das, Sourav Mardanya, and Sujoy Baitalik pp 6820–6838   DOI: 10.1021/ic3022326   Supporting Info

Excited-State Relaxation of Ruthenium Polypyridyl Compounds Relevant to Dye-Sensitized Solar Cells Ryan M. O’Donnell, Patrik G. Johansson, Maria Abrahamsson, and Gerald J. Meyer pp 6839–6848   DOI: 10.1021/ic302339a

Diatomic Silylynes, Germylynes, Stannylynes, and Plumbylynes: Structures, Dipole Moments, Dissociation Energies, and Quartet-Doublet Gaps of EH and EX (E = Si, Ge, Sn, Pb; X = F, Cl, Br, I) Huidong Li, Hao Feng, Weiguo Sun, Yaoming Xie, and Henry F. Schaefer pp 6849–6859   DOI: 10.1021/ic3025099

A Combined Experimental and DFT/TD-DFT Investigation of Structural, Electronic, and Cation-Induced Switching of Photophysical Properties of Bimetallic Ru(II) and Os(II) Complexes Derived from Imidazole-4,5-Dicarboxylic Acid and 2,2′-Bipyridine Shyamal Das, Srikanta Karmakar, Debasish Saha, and Sujoy Baitalik pp 6860–6879   DOI: 10.1021/ic302566p   Supporting Info

Electronic Structures of Octahedral Ni(II) Complexes with “Click” Derived Triazole Ligands: A Combined Structural, Magnetometric, Spectroscopic, and Theoretical Study David Schweinfurth, J. Krzystek, Igor Schapiro, Serhiy Demeshko, Johannes Klein, Joshua Telser, Andrew Ozarowski, Cheng-Yong Su, Franc Meyer, Mihail Atanasov, Frank Neese, and Biprajit Sarkar pp 6880–6892   DOI: 10.1021/ic3026123   Supporting Info

Extreme Metal Carbonyl Back Bonding in Cyclopentadienylthorium Carbonyls Generates Bridging C2O2 Ligands by Carbonyl Coupling Huidong Li, Hao Feng, Weiguo Sun, R. Bruce King, and Henry F. Schaefer, III pp 6893–6904   DOI: 10.1021/ic400797b   Supporting Info

From One to Three Dimensions: Corrugated ∞1[NiGe] Ribbons as a Building Block in Alkaline Earth Metal Ae/Ni/Ge Phases with Crystal Structure and Chemical Bonding in AeNiGe (Ae = Mg, Sr, Ba) Viktor Hlukhyy, Lisa Siggelkow, and Thomas F. Fässler pp 6905–6915   DOI: 10.1021/ic302681t   Supporting Info

A Template-Free Solution Route for the Synthesis of Well-Formed One-Dimensional Zn2GeO4 Nanocrystals and Its Photocatalytic Behavior Jun Liang, Yiqun Cao, Huan Lin, Zizhong Zhang, Changcang Huang, and Xuxu Wang pp 6916–6922   DOI: 10.1021/ic302698z   Supporting Info

Cu2+ in Layered Compounds: Origin of the Compressed Geometry in the Model System K2ZnF4:Cu2+ J. A. Aramburu, J. M. García-Lastra, P. García-Fernández, M. T. Barriuso, and M. Moreno pp 6923–6933   DOI: 10.1021/ic400105z

Heterometallic Alumo- and Gallodisilicates with M(O–Si–O)2M′ and [M(O–Si–O)2]2M′ Cores (M = Al, Ga; M′ = Ti, Zr, Hf) Raúl Huerta-Lavorie, Diego Solis-Ibarra, Dana Victoria Báez-Rodríguez, Marisol Reyes-Lezama, M. de las Nieves Zavala-Segovia, and Vojtech Jancik pp 6934–6943   DOI: 10.1021/ic400156n   Supporting Info

A Synthetic Route to a Molecular Galloxane Dihydroxide and Its Group 4 Heterobimetallic Compounds Erandi Bernabé-Pablo, Vojtech Jancik, and Mónica Moya-Cabrera pp 6944–6950   DOI: 10.1021/ic4010054   Supporting Info

Cluster Harvesting by Successive Reduction of a Metal Halide with a Nonconventional Reduction Agent: A Benefit for the Exploration of Metal-Rich Halide Systems Markus Ströbele, Agnieszka Mos, and Hans-Jürgen Meyer pp 6951–6956   DOI: 10.1021/ic4009366   Supporting Info

From Uranothorites to Coffinite: A Solid Solution Route to the Thermodynamic Properties of USiO4 Stéphanie Szenknect, Dan T. Costin, Nicolas Clavier, Adel Mesbah, Christophe Poinssot, Pierre Vitorge, and Nicolas Dacheux pp 6957–6968   DOI: 10.1021/ic400272s   Supporting Info

Synthesizing Axial Inserting p–n Heterojunction Nanowire Arrays for Realizing Synergistic Performance Haowei Lin, Huibiao Liu, Xuemin Qian, Songhua Chen, Yongjun Li, and Yuliang Li pp 6969–6974   DOI: 10.1021/ic400302e   Supporting Info

Heteroleptic Metallosupramolecular Racks, Rectangles, and Trigonal Prisms: Stoichiometry-Controlled Reversible Interconversion Subhadip Neogi, Yvonne Lorenz, Marianne Engeser, Debabrata Samanta, and Michael Schmittel pp 6975–6984   DOI: 10.1021/ic400328d   Supporting Info

Ion Exchange and Structural Aging in the Layered Perovskite Phases H1–xLixLaTiO4 T. W. S. Yip and E. J. Cussen pp 6985–6993   DOI: 10.1021/ic4004752   Supporting Info

Effects of Ligand Modification and Protonation on Metal Oxime Hydrogen Evolution Electrocatalysts Brian H. Solis, Yinxi Yu, and Sharon Hammes-Schiffer pp 6994–6999   DOI: 10.1021/ic400490y   Supporting Info

Tri(pyridylmethyl)phosphine: The Elusive Congener of TPA Shows Surprisingly Different Coordination Behavior Christopher J. Whiteoak, James D. Nobbs, Evgeny Kiryushchenkov, Sandro Pagano, Andrew J.P. White, and George J.P. Britovsek pp 7000–7009   DOI: 10.1021/ic4005196   Supporting Info

Crystal Structure and Local Structure of Mg2–xPrxNi4 (x = 0.6 and 1.0) Deuteride Using in Situ Neutron Total Scattering K. Sakaki, N. Terashita, H. Kim, T. Proffen, E. H. Majzoub, S. Tsunokake, Y. Nakamura, and E. Akiba pp 7010–7019   DOI: 10.1021/ic400528u

Structure Induced Yb Valence Changes in the Solid Solution YbxCa1-xC2 Pascal Link, Pieter Glatzel, Kristina Kvashnina, Dmytro M. Trots, Ronald I. Smith, and Uwe Ruschewitz pp 7020–7030   DOI: 10.1021/ic400531j   Supporting Info

Synthesis and Comparison of Transition Metal Complexes of Abnormal and Normal Tetrazolylidenes: A Neglected Ligand Species Lars-Arne Schaper, Xuhui Wei, Philipp J. Altmann, Karl Öfele, Alexander Pöthig, Markus Drees, János Mink, Eberhardt Herdtweck, Bettina Bechlars, Wolfgang A. Herrmann, and Fritz E. Kühn pp 7031–7044   DOI: 10.1021/ic4005449   Supporting Info

Photoconductivity in the Chalcohalide Semiconductor, SbSeI: a New Candidate for Hard Radiation Detection Arief C. Wibowo, Christos D. Malliakas, Zhifu Liu, John. A. Peters, Maria Sebastian, Duck Young Chung, Bruce W. Wessels, and Mercouri G. Kanatzidis pp 7045–7050   DOI: 10.1021/ic401086r

A Versatile Diphosphine Ligand: cis and trans Chelation or Bridging, with Self Association through Hydrogen Bonding Nasser Nasser, Aneta Borecki, Paul D. Boyle, and Richard J. Puddephatt pp 7051–7060   DOI: 10.1021/ic400576m   Supporting Info

BaAu2P4: Layered Zintl Polyphosphide with Infinite ∞1(P–) Chains James Fulmer, Derrick C. Kaseman, Juli-Anna Dolyniuk, Kathleen Lee, Sabyasachi Sen, and Kirill Kovnir pp 7061–7067   DOI: 10.1021/ic400584w   Supporting Info

Heterometallic Derivatives of the Unsaturated Ditungsten Hydride [W2(η5-C5H5)2(H)(μ-PCy2)(CO)2] M. Angeles Alvarez, M. Esther García, Miguel A. Ruiz, Adrián Toyos, and M. Fernanda Vega pp 7068–7077   DOI: 10.1021/ic400602y   Supporting Info

Synthesis of Electron-Rich Uranium(IV) Complexes Supported by Tridentate Schiff Base Ligands and Their Multi-Electron Redox Chemistry Clément Camp, Julie Andrez, Jacques Pécaut, and Marinella Mazzanti pp 7078–7086   DOI: 10.1021/ic4006218   Supporting Info

Modulation of the Magnetic Properties of Two-Dimensional Compounds [NiX2(N–N)] by Tailoring Their Crystal Structure Miguel Cortijo, Santiago Herrero, Reyes Jiménez-Aparicio, and Emilio Matesanz pp 7087–7093   DOI: 10.1021/ic400632c   Supporting Info

Hexafluoridotechnetate(IV) Revisited Samundeeswari Mariappan Balasekaran, Matthias Molski, Johann Spandl, Adelheid Hagenbach, Roger Alberto, and Ulrich Abram pp 7094–7099   DOI: 10.1021/ic400775e   Supporting Info

Syntheses and Structures of Uranyl Ethylenediphosphonates: From Layers to Elliptical Nanochannels Tao Tian, Weiting Yang, Hao Wang, Song Dang, Qing-Jiang Pan, and Zhong-Ming Sun pp 7100–7106   DOI: 10.1021/ic400658y   Supporting Info

Water Vapor Diffusion into a Nanostructured Iron Oxyhydroxide Xiaowei Song and Jean-François Boily pp 7107–7113   DOI: 10.1021/ic400661d   Supporting Info

Crowded Bis-(M-salphen) [M = Pt(II), Zn(II)] Coordination Architectures: Luminescent Properties and Ion-Selective Responses Wah-Leung Tong, Shek-Man Yiu, and Michael C. W. Chan pp 7114–7124   DOI: 10.1021/ic400692x   Supporting Info

Cs10H[Ga3H8]3: A Hydrogenous Zintl phase Containing Propane-Like Polyanions [Ga3H8]3– and Interstitial Hydrogen Henrik Fahlquist and Dag Noréus pp 7125–7129   DOI: 10.1021/ic400714e   Supporting Info

Combined High Resolution NMR and 1H and 17O Relaxometric Study Sheds Light on the Solution Structure and Dynamics of the Lanthanide(III) Complexes of HPDO3A Daniela Delli Castelli, Maria C. Caligara, Mauro Botta, Enzo Terreno, and Silvio Aime pp 7130–7138   DOI: 10.1021/ic400716c

Preparation of a Homologous Series of Tetraalkylammonium Graphite Intercalation Compounds Weekit Sirisaksoontorn and Michael M. Lerner pp 7139–7144   DOI: 10.1021/ic400733k

σ-Donor/Acceptor-Confused Ligands: The Case of a Chlorostibine Iou-Sheng Ke and François P. Gabbaï pp 7145–7151   DOI: 10.1021/ic400736b   Supporting Info

The Organozinc Rich Compounds [Cp*M(ZnR)5] (M = Fe, Ru; R = Cp*, Me, Cl, Br) Mariusz Molon, Christian Gemel, Rüdiger W. Seidel, Paul Jerabek, Gernot Frenking, and Roland A. Fischer pp 7152–7160   DOI: 10.1021/ic400741b   Supporting Info

Hypervalent Compounds as Ligands: I3-Anion Adducts with Transition Metal Pentacarbonyls Andrey Yu. Rogachev and Roald Hoffmann pp 7161–7171   DOI: 10.1021/ic400772u   Supporting Info

Structural Characterization of 2-Imidazolones: Comparison with their Heavier Chalcogen Counterparts Yi Rong, Ahmed Al-Harbi, Benjamin Kriegel, and Gerard Parkin pp 7172–7182   DOI: 10.1021/ic400788g   Supporting Info

Single-Molecule Magnetism in Three Related {CoIII2DyIII2}-Acetylacetonate Complexes with Multiple Relaxation Mechanisms Stuart K. Langley, Nicholas F. Chilton, Boujemaa Moubaraki, and Keith S. Murray pp 7183–7192   DOI: 10.1021/ic400789k   Supporting Info

Synthesis of [N(CH3)4]2O3SOSO2(s) and [N(CH3)4]2[(O2SO)2SO2]·SO2(s) Containing (SO4)(SO2)x2–x = 1, 2, Members of a New Class of Sulfur Oxydianions Pablo Bruna, Andreas Decken, Friedrich Grein, Jack Passmore, J. Mikko Rautiainen, Stephanie Richardson, and Tom Whidden pp 7193–7202   DOI: 10.1021/ic400805c   Supporting Info

Multimetastability in a Spin-Crossover Compound Leading to Different High-Spin-to-Low-Spin Relaxation Dynamics Gavin A. Craig, Jose Sánchez Costa, Simon J. Teat, Olivier Roubeau, Dmitry S. Yufit, Judith. A. K. Howard, and Guillem Aromí pp 7203–7209   DOI: 10.1021/ic400776x   Supporting Info

NaBa2Cu3S5: A Doped p-Type Degenerate Semiconductor Mihai Sturza, Fei Han, Daniel P. Shoemaker, Christos D. Malliakas, Duck Young Chung, Hosub Jin, Arthur J. Freeman, and Mercouri G. Kanatzidis pp 7210–7217   DOI: 10.1021/ic4008284   Supporting Info

Carbonato-Bridged NiII2LnIII2 (LnIII = GdIII, TbIII, DyIII) Complexes Generated by Atmospheric CO2 Fixation and Their Single-Molecule-Magnet Behavior: [(μ4-CO3)2{NiII(3-MeOsaltn)(MeOH or H2O)LnIII(NO3)}2]·solvent [3-MeOsaltn = N,N′-Bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato] Soichiro Sakamoto, Takeshi Fujinami, Koshiro Nishi, Naohide Matsumoto, Naotaka Mochida, Takayuki Ishida, Yukinari Sunatsuki, and Nazzareno Re pp 7218–7229   DOI: 10.1021/ic4008312   Supporting Info

High-Temperature, High-Pressure Hydrothermal Synthesis and Characterization of a Salt-Inclusion Mixed-Valence Uranium(V,VI) Silicate: [Na9F2][(UVO2)(UVIO2)2(Si2O7)2] Yu-Chih Chang, Wen-Jung Chang, Sophie Boudin, and Kwang-Hwa Lii pp 7230–7235   DOI: 10.1021/ic400854j   Supporting Info

Synthesis and Structure of Base-Stabilized Germanium(II) Diazide IPrGe(N3)2 Benjamin Lyhs, Dieter Bläser, Christoph Wölper, Stephan Schulz, Rebekka Haack, and Georg Jansen pp 7236–7241   DOI: 10.1021/ic400866c   Supporting Info

Coordination Complexes of Bismuth Triflates with Tetrahydrofuran and Diphosphine Ligands Saurabh S. Chitnis, Neil Burford, Andreas Decken, and Michael J. Ferguson pp 7242–7248   DOI: 10.1021/ic400875a   Supporting Info

Energetic High-Nitrogen Compounds: 5-(Trinitromethyl)-2H-tetrazole and -tetrazolates, Preparation, Characterization, and Conversion into 5-(Dinitromethyl)tetrazoles Ralf Haiges and Karl O. Christe pp 7249–7260   DOI: 10.1021/ic400919n   Supporting Info

Homologous Series of Rare-Earth Zinc Arsenides REZn2–xAs2·n(REAs) (RE = La–Nd, Sm; n = 3, 4, 5, 6) Xinsong Lin and Arthur Mar pp 7261–7270   DOI: 10.1021/ic400933v   Supporting Info

Vibrational Origin of the Thermal Stability in the Highly Distorted α-Quartz-Type Material GeO2: An Experimental and Theoretical Study Guillaume Fraysse, Adrien Lignie, Patrick Hermet, Pascale Armand, David Bourgogne, Julien Haines, Bertrand Ménaert, and Philippe Papet pp 7271–7279   DOI: 10.1021/ic4009416

140 H/D Isotopomers Identified by Long-Range NMR Hyperfine Shifts in Ruthenium(III) Ammine Complexes. Hyperconjugation in Ru–NH3 Bonding W. Michael Laidlaw, Robert G. Denning, Jennifer C. Green, Jonathan Boyd, Jeffrey Harmer, and Amber L. Thompson pp 7280–7294   DOI: 10.1021/ic400903a   Supporting Info

“Oxidative Addition” of Halogens to Uranium(IV) Bis(amidophenolate) Complexes Ellen M. Matson, Stacey R. Opperwall, Phillip E. Fanwick, and Suzanne C. Bart pp 7295–7304   DOI: 10.1021/ic4009812   Supporting Info

Correction to Theoretical and Experimental Investigations on Hypoelectronic Heterodimetallaboranes of Group 6 Transition Metals Bellie Sundaram Krishnamoorthy, Arunabha Thakur, Kiran Kumar Varma Chakrahari, Shubhankar Kumar Bose, Paul Hamon, Thierry Roisnel, Samia Kahlal, Sundargopal Ghosh, and Jean-François Halet pp 7305–7305   DOI: 10.1021/ic401084w   Supporting Info

Correction to Coordination Chemistry of 6-Thioguanine Derivatives with Cobalt: Toward Formation of Electrical Conductive One-Dimensional Coordination Polymers Pilar Amo-Ochoa, Simone S. Alexandre, Samira Hribesh, Miguel A. Galindo, Oscar Castillo, Carlos J. Gómez-García, Andrew R. Pike, José M. Soler, Andrew Houlton, Ross W. Harrington, William Clegg, and Félix Zamora pp 7306–7306   DOI: 10.1021/ic401300u   Supporting Info

Issue 13

Editorial for the Virtual Issue on Models of Metalloenzymes William B. Tolman pp 7307–7310   DOI: 10.1021/ic4013813

Enhancing Order and Porosity in a Highly Robust Tin(IV) Triphosphonate Framework Roger K. Mah, Melanie W. Lui, and George K. H. Shimizu pp 7311–7313   DOI: 10.1021/ic400274e   Supporting Info

End-On Azido-Bridged 3d–4f Complexes Showing Single-Molecule-Magnet Property Xing-Cai Huang, Chun Zhou, Hai-Yan Wei, and Xin-Yi Wang pp 7314–7316   DOI: 10.1021/ic400986y   Supporting Info

A Defect Supertetrahedron Naphthoxime-Based [MnIII9] Single-Molecule Magnet Małgorzata Hołyńska, Nicolas Frank, Céline Pichon, Ie-Rang Jeon, Rodolphe Clérac, and Stefanie Dehnen pp 7317–7319   DOI: 10.1021/ic401018w   Supporting Info

A Highly Selective Fluorescent Chemosensor for AlIII Ion and Fluorescent Species Formed in the Solution Wei-Hua Ding, Wei, Cao, Xiang-Jun Zheng, De-Cai Fang, Wing-Tak Wong, and Lin-Pei Jin pp 7320–7322   DOI: 10.1021/ic401028u   Supporting Info

Generation of High-Spin Iron(I) in a Protein Environment Using Cryoreduction Roman M. Davydov, Matthew P. McLaughlin, Eckhard Bill, Brian M. Hoffman, and Patrick L. Holland pp 7323–7325   DOI: 10.1021/ic4011339   Supporting Info

Tetrakis(bis(trimethylsilyl)amido)uranium(IV): Synthesis and Reactivity Andrew J. Lewis, Ursula J. Williams, Patrick J. Carroll, and Eric J. Schelter pp 7326–7328   DOI: 10.1021/ic401181j   Supporting Info

Probing Highly Selective H/D Exchange Processes with a Ruthenium Complex through Neutron Diffraction and Multinuclear NMR Studies. Mary Grellier, Sax A. Mason, Alberto Albinati, Silvia C. Capelli, Silvia Rizzato, Christian Bijani, Yannick Coppel, and Sylviane Sabo-Etienne pp 7329–7337   DOI: 10.1021/ic302307m   Supporting Info

Exploring Cyclometalated Ir Complexes as Donor Materials for Organic Solar Cells Tyler B. Fleetham, Zixing Wang, and Jian Li pp 7338–7343   DOI: 10.1021/ic3023453   Supporting Info

Cyclometalated Platinum Complexes with Luminescent Quantum Yields Approaching 100% Eric Turner, Nathan Bakken, and Jian Li pp 7344–7351   DOI: 10.1021/ic302490c   Supporting Info

Near-Infrared Quantum Cutting Platform in Thermally Stable Phosphate Phosphors for Solar Cells Tzu-Chen Liu, Gongguo Zhang, Xuebin Qiao, Jing Wang, Hyo Jin Seo, Din-Ping Tsai, and Ru-Shi Liu pp 7352–7357   DOI: 10.1021/ic302561r

Gas Storage in a Partially Fluorinated Highly Stable Three-Dimensional Porous Metal–Organic Framework Atanu Santra, Irena Senkovska, Stefan Kaskel, and Parimal K. Bharadwaj pp 7358–7366   DOI: 10.1021/ic302645r   Supporting Info

Complexes with Hybrid Phosphorus-NHC Ligands: Pincer-Type Ir Hydrides, Dinuclear Ag and Ir and Tetranuclear Cu and Ag Complexes Xianghao Liu and Pierre Braunstein pp 7367–7379   DOI: 10.1021/ic302854t   Supporting Info

Syntheses, Structures, and Magnetic and Luminescence Properties of a New DyIII-Based Single-Ion Magnet Ya-Li Wang, Yue Ma, Xi Yang, Jinkui Tang, Peng Cheng, Qing-Lun Wang, Li-Cun Li, and Dai-Zheng Liao pp 7380–7386   DOI: 10.1021/ic400006n   Supporting Info

Relaxation Analysis of Ligand Binding to the Myoglobin Reconstituted with Cobaltic Heme Saburo Neya, Masaaki Suzuki, Tyuji Hoshino, and Akira T. Kawaguchi pp 7387–7393   DOI: 10.1021/ic400078w   Supporting Info

Bioinspired Nonheme Iron Complexes Derived from an Extended Series of N,N,O-Ligated BAIP Ligands Marcel A. H. Moelands, Sjoerd Nijsse, Emma Folkertsma, Bas de Bruin, Martin Lutz, Anthony L. Spek, and Robertus J. M. Klein Gebbink pp 7394–7410   DOI: 10.1021/ic400096e   Supporting Info

π-Conjugated Trinuclear Group-9 Metalladithiolenes with a Triphenylene Backbone Ryota Sakamoto, Tetsuya Kambe, Satoru Tsukada, Kenji Takada, Ken Hoshiko, Yasutaka Kitagawa, Mitsutaka Okumura, and Hiroshi Nishihara pp 7411–7416   DOI: 10.1021/ic400110z   Supporting Info

Oxidovanadium Catechol Complexes: Radical versus Non-Radical States and Redox Series Suman Kundu, Suvendu Maity, Thomas Weyhermüller, and Prasanta Ghosh pp 7417–7430   DOI: 10.1021/ic400166z   Supporting Info

Synthesis and Visible-Light Photochromism of a New Composite Based on Polymolybdate Enclosed in Magadiite Yufeng Chen, Gensheng Yu, and Fei Li , Michael Severance pp 7431–7440   DOI: 10.1021/ic400569y

A Ferrimagnetic Zintl Phase Pr4MnSb9: Synthesis, Structure, and Physical Properties Xiong Chen, Jin-Ni Shen, Li-Ming Wu, and Ling Chen pp 7441–7447   DOI: 10.1021/ic400209x   Supporting Info

Electrochemiluminescent Ruthenium(II) N-Heterocyclic Carbene Complexes: a Combined Experimental and Theoretical Study Gregory J. Barbante, Paul S. Francis, Conor F. Hogan, Peyman R. Kheradmand, David J. D. Wilson, and Peter J. Barnard pp 7448–7459   DOI: 10.1021/ic400263r   Supporting Info

Observation of the Sixth Polymorph of BiB3O6: In Situ High-Pressure Raman Spectroscopy and Synchrotron X-ray Diffraction Studies on the β-Polymorph Rihong Cong, Tao Yang, Junliang Sun, Yingxia Wang, and Jianhua Lin pp 7460–7466   DOI: 10.1021/ic400268p   Supporting Info

Sodium-Centered Dodecanuclear Co(II) and Ni(II) Complexes with 2-(Phosphonomethylamino)succinic Acid: Studies of Spectroscopic, Structural, and Magnetic Properties Andriy O. Gudima, Ganna V. Shovkova, Olena K. Trunova, Fernande Grandjean, Gary J. Long, and Nikolay Gerasimchuk pp 7467–7477   DOI: 10.1021/ic400355u   Supporting Info

Electronic Structure and Ligand Vibrations in FeNO, CoNO, and FeOO Porphyrin Adducts Alexandra V. Soldatova, Mohammed Ibrahim, and Thomas G. Spiro pp 7478–7486   DOI: 10.1021/ic400364x   Supporting Info

Ferrocenylbenzobisimidazoles for Recognition of Anions and Cations María Alfonso, Alberto Tárraga, and Pedro Molina pp 7487–7496   DOI: 10.1021/ic400365c   Supporting Info

Thermodynamic Study of the Complexation of Protactinium(V) with Diethylenetriaminepentaacetic Acid Mickaël Mendes, Sébastien Leguay, Claire Le Naour, Séna Hamadi, Jérôme Roques, Philippe Moisy, Dominique Guillaumont, Sylvain Topin, Jean Aupiais, Christophe Den Auwer, and Christoph Hennig pp 7497–7507   DOI: 10.1021/ic400378t   Supporting Info

Use of Metalloligands [CuL] (H2L = Salen Type Di-Schiff Bases) in the Formation of Heterobimetallic Copper(II)-Uranyl Complexes: Photophysical Investigations, Structural Variations, and Theoretical Calculations Soumavo Ghosh, Saptarshi Biswas, Antonio Bauzá, Miquel Barceló-Oliver, Antonio Frontera, and Ashutosh Ghosh pp 7508–7523   DOI: 10.1021/ic400422d   Supporting Info

Marked Stabilization of Redox States and Enhanced Catalytic Activity in Galactose Oxidase Models Based on Transition Metal S-Methylisothiosemicarbazonates with −SR Group in Ortho Position to the Phenolic Oxygen Vladimir B. Arion, Sonja Platzer, Peter Rapta, Peter Machata, Martin Breza, Daniel Vegh, Lothar Dunsch, Joshua Telser, Sergiu Shova, Tatiana C. O. Mac Leod, and Armando J. L. Pombeiro pp 7524–7540   DOI: 10.1021/ic4004966   Supporting Info

Unraveling the Reaction Mechanism on Nitrile Hydration Catalyzed by [Pd(OH2)4]2+: Insights from Theory Elkin Tílvez, María I. Menéndez, and Ramón López pp 7541–7549   DOI: 10.1021/ic400554g   Supporting Info

Fascinating Role of the Number of f Electrons in Dipolar and Octupolar Contributions to Quadratic Hyperpolarizability of Trinuclear Lanthanides-Biscopper Schiff Base Complexes Antonino Gulino, Ignazio L. Fragalà, Fabio Lupo, Graziella Malandrino, Alessandro Motta, Alessia Colombo, Claudia Dragonetti, Stefania Righetto, Dominique Roberto, Renato Ugo, Francesco Demartin, Isabelle Ledoux-Rak, and Anu Singh pp 7550–7556   DOI: 10.1021/ic400558b   Supporting Info

Observation of Ferromagnetic Exchange, Spin Crossover, Reductively Induced Oxidation, and Field-Induced Slow Magnetic Relaxation in Monomeric Cobalt Nitroxides Ian A. Gass, Subrata Tewary, Ayman Nafady, Nicholas. F. Chilton, Christopher J. Gartshore, Mousa Asadi, David W. Lupton, Boujemaa Moubaraki, Alan M. Bond, John F. Boas, Si-Xuan Guo, Gopalan Rajaraman, and Keith S. Murray pp 7557–7572   DOI: 10.1021/ic400565h   Supporting Info

Effect of Defects in the Formation of AlB2-Type WB2 and MoB2 Wataru Hayami, Ai Momozawa, and Shigeki Otani pp 7573–7577   DOI: 10.1021/ic400587j

Platinum Chloride Complexes Containing 6-[9,9-Di(2-ethylhexyl)-7-R-9H-fluoren-2-yl]-2,2′-bipyridine Ligand (R = NO2, CHO, Benzothiazol-2-yl, n-Bu, Carbazol-9-yl, NPh2): Tunable Photophysics and Reverse Saturable Absorption Zhongjing Li, Ekaterina Badaeva, Angel Ugrinov, Svetlana Kilina, and Wenfang Sun pp 7578–7592   DOI: 10.1021/ic400683u   Supporting Info

Rhodium and Iridium Complexes with a New Scorpionate Phosphane Ligand Angel L. Serrano, Miguel A. Casado, José A. López, and Cristina Tejel pp 7593–7607   DOI: 10.1021/ic400684s   Supporting Info

Facile Formation of Stable Tris(imido)phosphate Trianions as Their Tri- and Hexanuclear Pd(II) Complexes in Protic Solvents Arvind K. Gupta, S. Arun Dixith Reddy, and Ramamoorthy Boomishankar pp 7608–7614   DOI: 10.1021/ic400686e   Supporting Info

An Anionic N-Donor Ligand Promotes Manganese-Catalyzed Water Oxidation Karin J. Young, Michael K. Takase, and Gary W. Brudvig pp 7615–7622   DOI: 10.1021/ic400691e   Supporting Info

Does the Oxidation of Nitric Oxide by oxyMyoglobin Share an Intermediate with the metMyoglobin-Catalyzed Isomerization of Peroxynitrite? Karl J. Koebke, Daniel J. Pauly, Leonid Lerner, Xien Liu, and A. Andrew Pacheco pp 7623–7632   DOI: 10.1021/ic400697a   Supporting Info

Coordination Diversity in Mono- and Oligonuclear Copper(II) Complexes of Pyridine-2-Hydroxamic and Pyridine-2,6-Dihydroxamic Acids Elzbieta Gumienna-Kontecka, Irina A. Golenya, Agnieszka Szebesczyk, Matti Haukka, Roland Krämer, and Igor O. Fritsky pp 7633–7644   DOI: 10.1021/ic4007229   Supporting Info

Dicopper(II) Metallacyclophanes with Oligo(p-phenylene-ethynylene) Spacers: Experimental Foundations and Theoretical Predictions on Potential Molecular Magnetic Wires María Castellano, Francisco R. Fortea-Pérez, Abdeslem Bentama, Salah-Eddine Stiriba, Miguel Julve, Francesc Lloret, Giovanni De Munno, Donatella Armentano, Yangling Li, Rafael Ruiz-García, and Joan Cano pp 7645–7657   DOI: 10.1021/ic400754m   Supporting Info

Photophysical Studies of Europium Coordination Polymers Based on a Tetracarboxylate Ligand Yan-Li Gai, Fei-Long Jiang, Lian Chen, Yang Bu, Kong-Zhao Su, Shaeel A. Al-Thabaiti, and Mao-Chun Hong pp 7658–7665   DOI: 10.1021/ic400777c   Supporting Info

Di-, Tri-, and Tetra(pentafluorophenyl) Derivatives for Oligotopic Anion−π Interactions Michael Giese, Markus Albrecht, Simon Steike, Anton Ackermann, Arto Valkonen, and Kari Rissanen pp 7666–7672   DOI: 10.1021/ic4008087   Supporting Info

Hybrid Uranyl-Carboxyphosphonate Cage Clusters Pius O. Adelani, Michael Ozga, Christine M. Wallace, Jie Qiu, Jennifer E. S. Szymanowski, Ginger E. Sigmon, and Peter C. Burns pp 7673–7679   DOI: 10.1021/ic4008262   Supporting Info

Looking for New Hybrid Polymer Fillers: Synthesis of Nanosized α-Type Zr(IV) Organophosphonates through an Unconventional Topotactic Anion Exchange Reaction Monica Pica, Anna Donnadio, Elisabetta Troni, Donatella Capitani, and Mario Casciola pp 7680–7687   DOI: 10.1021/ic400834d

Cross-Bridged Cyclen or Cyclam Co(III) Complexes Containing Cytotoxic Ligands as Hypoxia-Activated Prodrugs John Yu-Chih Chang, Guo-Liang Lu, Ralph J. Stevenson, Penelope J. Brothers, George R. Clark, K. Jane Botting, Dianne M. Ferry, Moana Tercel, William R. Wilson, William A. Denny, and David C. Ware pp 7688–7698   DOI: 10.1021/ic4006967   Supporting Info

Donor-Free Phosphenium–Metal(0)–Halides with Unsymmetrically Bridging Phosphenium Ligands Daniela Förster, Jan Nickolaus, Martin Nieger, Zoltán Benkő, Andreas W. Ehlers, and Dietrich Gudat pp 7699–7708   DOI: 10.1021/ic400886b   Supporting Info

Zirconium and Hafnium Complexes Containing N-Alkyl-Substituted Amine Biphenolate Ligands: Unexpected Ligand Degradation and Divergent Complex Constitutions Governed by N-Alkyls Lan-Chang Liang, Chia-Cheng Chien, Ming-Tsz Chen, and Sheng-Ta Lin pp 7709–7716   DOI: 10.1021/ic400891b   Supporting Info

Rollover Cyclometalation with 2-(2′-Pyridyl)quinoline Antonio Zucca, Diletta Cordeschi, Luca Maidich, Maria Itria Pilo, Elisabetta Masolo, Sergio Stoccoro, Maria Agostina Cinellu, and Simona Galli pp 7717–7731   DOI: 10.1021/ic400908f   Supporting Info

Structures, Magnetochemistry, Spectroscopy, Theoretical Study, and Catechol Oxidase Activity of Dinuclear and Dimer-of-Dinuclear Mixed-Valence MnIIIMnII Complexes Derived from a Macrocyclic Ligand Arpita Jana, Núria Aliaga-Alcalde, Eliseo Ruiz, and Sasankasekhar Mohanta pp 7732–7746   DOI: 10.1021/ic400916h   Supporting Info

Synthesis, Structure, and Spectroscopy of Two Ternary Uranium(IV) Thiophosphates: UP2S9 and UP2S7 Containing P2S92– and P2S72– Ligands Jean-Marie Babo, Laurent Jouffret, Jian Lin, Eric M. Villa, and Thomas E. Albrecht-Schmitt pp 7747–7751   DOI: 10.1021/ic400942r   Supporting Info

Shape Modulation of Octanuclear Cu(I) or Ag(I) Dichalcogeno Template Clusters with Respect to the Nature of their Encapsulated Anions: A Combined Theoretical and Experimental Investigation Camille Latouche, Samia Kahlal, Eric Furet, Ping-Kuei Liao, Yan-Ru Lin, Ching-Shiang Fang, Jérôme Cuny, C. W. Liu, and Jean-Yves Saillard pp 7752–7765   DOI: 10.1021/ic400959a   Supporting Info

Electronic Structure and Biologically Relevant Reactivity of Low-Spin {FeNO}8 Porphyrin Model Complexes: New Insight from a Bis-Picket Fence Porphyrin Lauren E. Goodrich, Saikat Roy, E. Ercan Alp, Jiyong Zhao, Michael Y. Hu, and Nicolai Lehnert pp 7766–7780   DOI: 10.1021/ic400977h   Supporting Info

Structure and Bonding of Novel Acyclic Bisaminoarsenium Cations Christian Hering, Julia Rothe, Axel Schulz, and Alexander Villinger pp 7781–7790   DOI: 10.1021/ic4010104   Supporting Info

Chalcogenation of the 1,4-C2P4 Ring: Oxidation, Isomerization, Insertion, and Ring Contraction Philip J. W. Elder and Tristram Chivers pp 7791–7804   DOI: 10.1021/ic401002b   Supporting Info

De Novo Structure-Based Design of Bis-amidoxime Uranophiles Sinisa Vukovic and Benjamin P. Hay pp 7805–7810   DOI: 10.1021/ic401089u   Supporting Info

Zirconium-Mediated Synthesis of Arsaalkene Compounds from Arsines and Isocyanides Annalese F. Maddox, Jillian J. Davidson, Tamila Shalumova, Joseph M. Tanski, and Rory Waterman pp 7811–7816   DOI: 10.1021/ic4012058   Supporting Info

Correction to An Unprecedented Fe36 Phosphonate Cage Christine M. Beavers, Andrey V. Prosvirin, John D. Cashion, Kim R. Dunbar, and Anne F. Richards pp 7817–7817   DOI: 10.1021/ic401267u

Issue 14

Green and Facile Synthesis of Water-Soluble Cu–In–S/ZnS Core/Shell Quantum Dots Yanyan Chen, Shenjie Li, Lijian Huang, and Daocheng Pan pp 7819–7821   DOI: 10.1021/ic400083w   Supporting Info

Diboran(4)yl Platinum(II) Complexes Holger Braunschweig, Alexander Damme, and Thomas Kupfer pp 7822–7824   DOI: 10.1021/ic400641a   Supporting Info

Decatantalate—The Last Member of the Group 5 Decametalate Family Miki Matsumoto, Yoshiki Ozawa, Atsushi Yagasaki, and Yang Zhe pp 7825–7827   DOI: 10.1021/ic400864e   Supporting Info

Room Temperature Magnetism in Layered Double Hydroxides due to Magnetic Nanoparticles Gonzalo Abellán, Jose A. Carrasco, and Eugenio Coronado pp 7828–7830   DOI: 10.1021/ic400883k   Supporting Info

Nonclassical Oxygen Atom Transfer as a Synthetic Strategy: Preparation of an Oxorhenium(V) Complex of the Bis(3,5-di-tert-butyl-2-phenoxo)amide Ligand Daniel D. Wright and Seth N. Brown pp 7831–7833   DOI: 10.1021/ic4010592   Supporting Info

Structural and Magnetic Phase Transitions in the AnBnO3n–2 Anion-Deficient Perovskites Pb2Ba2BiFe5O13 and Pb1.5Ba2.5Bi2Fe6O16 A. M. Abakumov, M. Batuk, A. A. Tsirlin, O. A. Tyablikov, D. V. Sheptyakov, D. S. Filimonov, K. V. Pokholok, V. S. Zhidal, M. G. Rozova, E. V. Antipov, J. Hadermann, and G. Van Tendeloo pp 7834–7843   DOI: 10.1021/ic3026667   Supporting Info

Insights into Ru-Based Molecular Water Oxidation Catalysts: Electronic and Noncovalent-Interaction Effects on Their Catalytic Activities Lele Duan, Lei Wang, A. Ken Inge, Andreas Fischer, Xiaodong Zou, and Licheng Sun pp 7844–7852   DOI: 10.1021/ic302687d   Supporting Info

On the Anomalous Magnetic Behavior and the Multiferroic Properties in BiMn2O5 Q. Liu, D. Sallagoity, M. Josse, and O. Toulemonde pp 7853–7861   DOI: 10.1021/ic302800b   Supporting Info

Self-Assembled Supramolecular Clusters Based on Phosphines and Coinage Metals: Tetrahedra, Helicates, and Mesocates Sang Ho Lim and Seth M. Cohen pp 7862–7872   DOI: 10.1021/ic302840x   Supporting Info

Sequential Evolution of Different Phases in Metastable Gd2–xCexZr2–xAlxO7 (0.0 ≤ x ≤ 2.0) System: Crucial Role of Reaction Conditions Rakesh Shukla, Farheen N. Sayed, Suhas Phapale, Ratikant Mishra, and Avesh K. Tyagi pp 7873–7880   DOI: 10.1021/ic401041e   Supporting Info

Novel Fundamental Building Blocks and Site Dependent Isomorphism in the First Actinide Borophosphates Shijun Wu, Matthew J. Polinski, Thomas Malcherek, Ulrich Bismayer, Martina Klinkenberg, Giuseppe Modolo, Dirk Bosbach, Wulf Depmeier, Thomas E. Albrecht-Schmitt, and Evgeny V. Alekseev pp 7881–7888   DOI: 10.1021/ic400214x   Supporting Info

Gold(III) Complexes of Pyridyl- and Isoquinolylamido Ligands: Structural, Spectroscopic, and Biological Studies of a New Class of Dual Topoisomerase I and II Inhibitors Colin R. Wilson, Alexander M. Fagenson, Wanvipa Ruangpradit, Mark T. Muller, and Orde Q. Munro pp 7889–7906   DOI: 10.1021/ic400339z   Supporting Info

Role of Tyrosine Residue in Methane Activation at the Dicopper Site of Particulate Methane Monooxygenase: A Density Functional Theory Study Yoshihito Shiota, Gergely Juhász, and Kazunari Yoshizawa pp 7907–7917   DOI: 10.1021/ic400417d   Supporting Info

New Polymorph of Mo3S4 Prepared using a High-pressure Synthesis Technique: Crystal Structure, Electronic Property, and Band Calculation Hiroshi Fukuoka, Kumi Masuoka, Teruhiko Hanaoka, and Kei Inumaru pp 7918–7922   DOI: 10.1021/ic400423n   Supporting Info

Hypoelectronic Dimetallaheteroboranes of Group 6 Transition Metals Containing Heavier Chalcogen Elements Kiran Kumarvarma Chakrahari, Arunabha Thakur, Bijan Mondal, V. Ramkumar, and Sundargopal Ghosh pp 7923–7932   DOI: 10.1021/ic400432v   Supporting Info

Photoinduced Electron and Energy Transfer and pH-Induced Modulation of the Photophysical Properties in Homo- and Heterobimetallic Complexes of Ruthenium(II) and Rhodium(III) Based on a Heteroditopic Phenanthroline–Terpyridine Bridge Dinesh Maity, Chanchal Bhaumik, Srikanta Karmakar, and Sujoy Baitalik pp 7933–7946   DOI: 10.1021/ic400449c   Supporting Info

Homoleptic “Star” Ru(II) Polypyridyl Complexes: Shielded Chromophores to Study Charge-Transfer at the Sensitizer-TiO2 Interface Patrik G. Johansson, Yongyi Zhang, Gerald J. Meyer, and Elena Galoppini pp 7947–7957   DOI: 10.1021/ic4004565   Supporting Info

Luminescent P-Chirogenic Copper Clusters Antony Lapprand, Mathieu Dutartre, Naïma Khiri, Etienne Levert, Daniel Fortin, Yoann Rousselin, Armand Soldera, Sylvain Jugé, and Pierre D. Harvey pp 7958–7967   DOI: 10.1021/ic400498j   Supporting Info

Rationalization of the Barrier Height for p-Z-styrene Epoxidation by Iron(IV)-Oxo Porphyrin Cation Radicals with Variable Axial Ligands Devesh Kumar, Reza Latifi, Suresh Kumar, Elena V. Rybak-Akimova, Mala A. Sainna, and Sam P. de Visser pp 7968–7979   DOI: 10.1021/ic4005104   Supporting Info

Do π–π Stacking Interactions Really Play a Role in the Magnetic Coupling Mechanisms of [Cu2(μ2-CH3COO)2L2(H2O)2]n+ (L = heterocyclic base, n = 0, 2) Complexes? An ab initio Inspection Nuno A. G. Bandeira, Daniel Maynau, Vincent Robert, and Boris Le Guennic pp 7980–7986   DOI: 10.1021/ic400517z

Linear and Nonlinear Optical Properties of Tris-cyclometalated Phenylpyridine Ir(III) Complexes Incorporating π-Conjugated Substituents Moussa Zaarour, Anu Singh, Camille Latouche, J. A. Gareth Williams, Isabelle Ledoux-Rak, Joseph Zyss, Abdou Boucekkine, Hubert Le Bozec, Véronique Guerchais, Claudia Dragonetti, Alessia Colombo, Dominique Roberto, and Adriana Valore pp 7987–7994   DOI: 10.1021/ic400541e   Supporting Info

Gold(I) Complexes of Tetrathiaheterohelicene Phosphanes Silvia Cauteruccio, Annette Loos, Alberto Bossi, Maria Camila Blanco Jaimes, Davide Dova, Frank Rominger, Stefan Prager, Andreas Dreuw, Emanuela Licandro, and A. Stephen K. Hashmi pp 7995–8004   DOI: 10.1021/ic4005533

Synthesis and Crystal Chemistry of the Fast Li-Ion Conductor Li7La3Zr2O12 Doped with Fe Daniel Rettenwander, Charles A. Geiger, and Georg Amthauer pp 8005–8009   DOI: 10.1021/ic400589u

An Efficient, Thermally Stable Cerium-Based Silicate Phosphor for Solid State White Lighting Jakoah Brgoch, Christopher K. H. Borg, Kristin A. Denault, Alexander Mikhailovsky, Steven P. DenBaars, and Ram Seshadri pp 8010–8016   DOI: 10.1021/ic400614r   Supporting Info

Enantioselective Henry Reaction Catalyzed by “Ship in a Bottle” Complexes Kusum K. Bania, Galla V. Karunakar, Kommuru Goutham, and Ramesh C. Deka pp 8017–8029   DOI: 10.1021/ic400599c   Supporting Info

Revelation of the Photoactive Species in the Photocatalytic Dimerization of α-Methylstyrene by a Dinuclear Ruthenium–Palladium Complex Kei Murata, Akiko Inagaki, Munetaka Akita, Jean-François Halet, and Karine Costuas pp 8030–8039   DOI: 10.1021/ic400666v   Supporting Info

Complexes with Redox-Active Ligands: Synthesis, Structure, and Electrochemical and Photophysical Behavior of the Ru(II) Complex with TTF-Annulated Phenanthroline Lawrence K. Keniley, Jr., Nathalie Dupont, Lipika Ray, Jie Ding, Kirill Kovnir, Jordan M. Hoyt, Andreas Hauser, and Michael Shatruk pp 8040–8052   DOI: 10.1021/ic4006949   Supporting Info

Binuclear Ruthenium Complexes of a Neutral Radical Bridging Ligand. A New “Spin” on Mixed Valency Stephen D. J. McKinnon, Brian O. Patrick, A. B. P. Lever, and Robin G. Hicks pp 8053–8066   DOI: 10.1021/ic400704j   Supporting Info

Pressure-Induced Phase Transitions and Correlation between Structure and Superconductivity in Iron-Based Superconductor Ce(O0.84F0.16)FeAs Jinggeng Zhao, Haozhe Liu, Lars Ehm, Dawei Dong, Zhiqiang Chen, Qingqing Liu, Wanzheng Hu, Nanlin Wang, and Changqing Jin pp 8067–8073   DOI: 10.1021/ic400727g   Supporting Info

Fe–TPP Coordination Network with Metalloporphyrinic Neutral Radicals and Face-to-Face and Edge-to-Face π–π Stacking Arkaitz Fidalgo-Marijuan, Gotzone Barandika, Begoña Bazán, Miren Karmele Urtiaga, Luis Lezama, and María Isabel Arriortua pp 8074–8081   DOI: 10.1021/ic4007372   Supporting Info

Highly Selective Luminescent Sensing of Fluoride and Organic Small-Molecule Pollutants Based on Novel Lanthanide Metal–Organic Frameworks Jing-Min Zhou, Wei Shi, Na Xu, and Peng Cheng pp 8082–8090   DOI: 10.1021/ic400770j   Supporting Info

Co5/Co8–Cluster-Based Coordination Polymers Showing High-Connected Self-Penetrating Networks: Syntheses, Crystal Structures, and Magnetic Properties Dong-Sheng Li, Jun Zhao, Ya-Pan Wu, Bin Liu, Liang Bai, Kun Zou, and Miao Du pp 8091–8098   DOI: 10.1021/ic4007718   Supporting Info

Synthesis of Divalent Europium Borate via in Situ Reductive Techniques Matthew J. Polinski, Justin N. Cross, Eric M. Villa, Jian Lin, Evgeny V. Alekseev, Wulf Depmeier, and Thomas E. Albrecht-Schmitt pp 8099–8105   DOI: 10.1021/ic400781x   Supporting Info

C–H Activation by Multiply Bonded Complexes with Potentially Noninnocent Ligands: A Computational Study Olayinka A. Olatunji-Ojo and Thomas R. Cundari pp 8106–8113   DOI: 10.1021/ic400804x   Supporting Info

Design of a Long-Lifetime, Earth-Abundant, Aqueous Compatible Cu(I) Photosensitizer Using Cooperative Steric Effects Catherine E. McCusker and Felix N. Castellano pp 8114–8120   DOI: 10.1021/ic401213p   Supporting Info

Tuning Reactivity of Diphenylpropynone Derivatives with Metal-Associated Amyloid-β Species via Structural Modifications Yuzhong Liu, Akiko Kochi, Amit S. Pithadia, Sanghyun Lee, Younwoo Nam, Michael W. Beck, Xiaoming He, Dongkuk Lee, and Mi Hee Lim pp 8121–8130   DOI: 10.1021/ic400851w   Supporting Info

Optimization of Pentadentate Bispidines as Bifunctional Chelators for 64Cu Positron Emission Tomography (PET) Peter Comba, Sebastian Hunoldt, Michael Morgen, Jens Pietzsch, Holger Stephan, and Hubert Wadepohl pp 8131–8143   DOI: 10.1021/ic4008685   Supporting Info

Fe3O4 Nanocrystals Tune the Magnetic Regime of the Fe/Ni Molecular Magnet: A New Class of Magnetic Superstructures Giorgio Zoppellaro, Jiří Tuček, Radovan Herchel, Klára Šafářová, and Radek Zbořil pp 8144–8150   DOI: 10.1021/ic4008729   Supporting Info

Bulky N(,N)-(Di)alkylethane-1,2-diamineplatinum(II) Compounds as Precursors for Generating Unsymmetrically Substituted Platinum(IV) Complexes Verena Pichler, Simone Göschl, Samuel M. Meier, Alexander Roller, Michael A. Jakupec, Markus Galanski, and Bernhard K. Keppler pp 8151–8162   DOI: 10.1021/ic400816g   Supporting Info

Anticancer Potency of Platinum(II) Complexes Containing Both Chloride Anion and Chelated Carboxylate as Leaving Groups Jian Zhao, Shaohua Gou, Fei Liu, Yanyan Sun, and Chuanzhu Gao pp 8163–8170   DOI: 10.1021/ic400907t   Supporting Info

Isomorphous Substitution in a Flexible Metal–Organic Framework: Mixed-Metal, Mixed-Valent MIL-53 Type Materials Matthew I. Breeze, Guillaume Clet, Betiana C. Campo, Alexandre Vimont, Marco Daturi, Jean-Marc Grenèche, Andrew J. Dent, Franck Millange, and Richard I. Walton pp 8171–8182   DOI: 10.1021/ic400923d   Supporting Info

On the Stereochemical Inertness of the Auride Lone Pair: Ab Initio Studies of AAu (A = K, Rb, Cs) Maosheng Miao, Jakoah Brgoch, Aditi Krishnapriyan, Abby Goldman, Joshua A. Kurzman, and Ram Seshadri pp 8183–8189   DOI: 10.1021/ic400947p   Supporting Info

Homogeneous Hydrogenation and Isomerization of 1-Octene Catalyzed by Nickel(II) Complexes with Bidentate Diarylphosphane Ligands Tiddo J. Mooibroek, Erica C. M. Wenker, Wietse Smit, Ilpo Mutikainen, Martin Lutz, and Elisabeth Bouwman pp 8190–8201   DOI: 10.1021/ic400973t   Supporting Info

Formation of New Non-oxido Vanadium(IV) Species in Aqueous Solution and in the Solid State by Tridentate (O, N, O) Ligands and Rationalization of Their EPR Behavior Daniele Sanna, Katalin Várnagy, Norbert Lihi, Giovanni Micera, and Eugenio Garribba pp 8202–8213   DOI: 10.1021/ic401080q   Supporting Info

Fluorinated Phosphorus–Selenium Heteroatom Compounds: Phenylphosphonofluorodiselenoic Salts, Adducts, and Esters Guoxiong Hua, Junyi Du, Alexandra M. Z. Slawin, and J. Derek Woollins pp 8214–8217   DOI: 10.1021/ic400612w   Supporting Info

Reactivity and Mössbauer Spectroscopic Characterization of an Fe(IV) Ketimide Complex and Reinvestigation of an Fe(IV) Norbornyl Complex Richard A. Lewis, Danil E. Smiles, Jonathan M. Darmon, S. Chantal E. Stieber, Guang Wu, and Trevor W. Hayton pp 8218–8227   DOI: 10.1021/ic401096p   Supporting Info

Thorium Fluorides ThF, ThF2, ThF3, ThF4, ThF3(F2), and ThF5– Characterized by Infrared Spectra in Solid Argon and Electronic Structure and Vibrational Frequency Calculations Lester Andrews, K. Sahan Thanthiriwatte, Xuefeng Wang, and David A. Dixon pp 8228–8233   DOI: 10.1021/ic401107w   Supporting Info

Electrophilic Ln(III) Cations Protected by C–F → Ln Interactions and Their Coordination Chemistry with Weak σ- and π-Donors Haolin Yin, Andrew J. Lewis, Patrick Carroll, and Eric J. Schelter pp 8234–8243   DOI: 10.1021/ic401130e   Supporting Info

A Family of Rare Earth Porous Coordination Polymers with Different Flexibility for CO2/C2H4 and CO2/C2H6 Separation Jingui Duan, Masakazu Higuchi, Maw Lin Foo, Satoshi Horike, Koya Prabhakara Rao, and Susumu Kitagawa pp 8244–8249   DOI: 10.1021/ic401157n   Supporting Info

Dimolybdenum Tetracarboxylates as Auxiliary Chromophores in Chiroptical Studies of vic-Diols Magdalena Jawiczuk, Marcin Górecki, Agata Suszczyńska, Michał Karchier, Jarosław Jaźwiński, and Jadwiga Frelek pp 8250–8263   DOI: 10.1021/ic401170m   Supporting Info

Quaternary Germanides RE4Mn2InGe4 (RE = La–Nd, Sm, Gd–Tm, Lu) Anton O. Oliynyk, Stanislav S. Stoyko, and Arthur Mar pp 8264–8271   DOI: 10.1021/ic401171v   Supporting Info

Cationic Clathrate of Type-III Ge172–xPxTey (y ≈ 21.5, x ≈ 2y): Synthesis, Crystal Structure and Thermoelectric Properties Maria A. Kirsanova, Takao Mori, Satofumi Maruyama, Artem M. Abakumov, Gustaaf Van Tendeloo, Andrei Olenev, and Andrei V. Shevelkov pp 8272–8279   DOI: 10.1021/ic401203r   Supporting Info

Correction to Single-Molecule Magnetism in Three Related {CoIII2DyIII2}-Acetylacetonate Complexes with Multiple Relaxation Mechanisms Stuart K. Langley, Nicholas F. Chilton, Boujemaa Moubaraki, and Keith S. Murray pp 8280–8280   DOI: 10.1021/ic401475b

Correction to Increase in the Coordination Number of a Cobalt Porphyrin after Photo-Induced Interfacial Electron Transfer into Nanocrystalline TiO2 Darren Achey, Shane Ardo, and Gerald J. Meyer pp 8281–8281   DOI: 10.1021/ic401543x

Correction to Excited-State Relaxation of Ruthenium Polypyridyl Compounds Relevant to Dye-Sensitized Solar Cells Ryan M. O’Donnell, Patrik G. Johansson, Maria Abrahamsson, and Gerald J. Meyer pp 8282–8282   DOI: 10.1021/ic401544c

Correction to New Dicarboxylic Acid Bipyridine Ligand for Ruthenium Polypyridyl Sensitization of TiO2 William B. Heuer, Hai-Long Xia, William Ward, Zhen Zhou, Wayne H. Pearson, Maxime A. Siegler, Amy A. Narducci Sarjeant, Maria Abrahamsson, and Gerald J. Meyer pp 8283–8283   DOI: 10.1021/ic4015459

Issue 15

A Crown-Shaped 24-Molybdate Cluster Constructed by Organotriphosphonate Ligand Lu Yang, Pengtao Ma, Zhen Zhou, Jingping Wang, and Jingyang Niu pp 8285–8287   DOI: 10.1021/ic400848r   Supporting Info

Flexible Diphosphonic Acids for the Isolation of Uranyl Hybrids with Heterometallic UVI═O—ZnII Cation–Cation Interactions Tao Tian, Weiting Yang, Hao Wang, Song Dang, and Zhong-Ming Sun pp 8288–8290   DOI: 10.1021/ic4009834   Supporting Info

Sr8MgB18O36: a New Alkaline-Earth Borate with a Novel Zero-Dimensional (B18O36)18– Anion Ring Wenjiao Yao, Xingxing Jiang, Hongwei Huang, Tao Xu, Xiaoshan Wang, Zheshuai Lin, and Chuangtian Chen pp 8291–8293   DOI: 10.1021/ic401167z   Supporting Info

Naphthalene Carbohydrazone Based Dizinc(II) Chemosensor for a Pyrophosphate Ion and Its DNA Assessment Application in Polymerase Chain Reaction Products Sellamuthu Anbu, Subban Kamalraj, Chelliah Jayabaskaran, and Partha Sarathi Mukherjee pp 8294–8296   DOI: 10.1021/ic4011696   Supporting Info

Monoclinic Ag2Mo2O7 Nanowire: A New Ag–Mo–O Nanophotocatalyst Material Kenji Saito, Shotaro Kazama, Kazuki Matsubara, Tatsuto Yui, and Masayuki Yagi pp 8297–8299   DOI: 10.1021/ic401236b   Supporting Info

Slow Relaxation of the Magnetization of an MnIII Single Ion Ryuta Ishikawa, Ryo Miyamoto, Hiroyuki Nojiri, Brian K. Breedlove, and Masahiro Yamashita pp 8300–8302   DOI: 10.1021/ic401351w   Supporting Info

U3F12(H2O), a Noncentrosymmetric Uranium(IV) Fluoride Prepared via a Convenient In Situ Route That Creates U4+ under Mild Hydrothermal Conditions Jeongho Yeon, Mark D. Smith, Athena S. Sefat, T. Thao Tran, P. Shiv Halasyamani, and Hans-Conrad zur Loye pp 8303–8305   DOI: 10.1021/ic401412t   Supporting Info

Isolation of a 2-Hydroxytetrahydrofuran Complex from Copper-Promoted Hydroxylation of THF Mohammad Reza Halvagar and William B. Tolman pp 8306–8308   DOI: 10.1021/ic401446s   Supporting Info

New Synthetic Route toward Heterometallic 3d–3d′ and 3d–4f Single-Molecule Magnets. The First CoII–MnIII Heterometallic Complex Guilherme P. Guedes, Stéphane Soriano, Luiza A. Mercante, Nivaldo L. Speziali, Miguel A. Novak, Marius Andruh, and Maria G. F. Vaz pp 8309–8311   DOI: 10.1021/ic401479d   Supporting Info

NH/PH Isomerization and a Lewis Pair for Carbon Dioxide Capture Brian M. Barry, Diane A. Dickie, Luke J. Murphy, Jason A. C. Clyburne, and Richard A. Kemp pp 8312–8314   DOI: 10.1021/ic401498r   Supporting Info

Crystal Structures and Raman Spectra of Imidazolium Poly[perfluorotitanate(IV)] Salts Containing the [TiF6]2–, ([Ti2F9]−)∞, and [Ti2F11]3– and the New [Ti4F20]4– and [Ti5F23]3– Anions Igor M. Shlyapnikov, Hélène P. A. Mercier, Evgeny A. Goreshnik, Gary J. Schrobilgen, and Zoran Mazej pp 8315–8326   DOI: 10.1021/ic302468j   Supporting Info

Polytellurides of Mn, Fe, and Zn from Mild Solvothermal Reactions in Liquid Ammonia Oleksandr Kysliak, Max Marcus, Thomas Bredow, and Johannes Beck pp 8327–8333   DOI: 10.1021/ic302503u   Supporting Info

Syntheses, Structures, and Nonlinear Optical Properties of Quaternary Chalcogenides: Pb4Ga4GeQ12 (Q = S, Se) Yu-Kun Chen, Mei-Chun Chen, Liu-Jiang Zhou, Ling Chen, and Li-Ming Wu pp 8334–8341   DOI: 10.1021/ic400995z   Supporting Info

Dy(III) Single-Ion Magnet Showing Extreme Sensitivity to (De)hydration Min Ren, Dawid Pinkowicz, Minyoung Yoon, Kimoon Kim, Li-Min Zheng, Brian K. Breedlove, and Masahiro Yamashita pp 8342–8348   DOI: 10.1021/ic400430q   Supporting Info

Structural Acid–Base Chemistry in the Metallic State: How μ3-Neutralization Drives Interfaces and Helices in Ti21Mn25 Timothy E. Stacey and Daniel C. Fredrickson pp 8349–8359   DOI: 10.1021/ic302619h   Supporting Info

Design of Triads for Probing the Direct Through Space Energy Transfers in Closely Spaced Assemblies Jean-Michel Camus, Shawkat M. Aly, Daniel Fortin, Roger Guilard, and Pierre D. Harvey pp 8360–8368   DOI: 10.1021/ic3026655   Supporting Info

Unusual Conformation of a Dinuclear Paddle Wheel Copper(II) Complex. Synthesis, Structural Characterization and EPR Studies Verónica Paredes-García, Ricardo C. Santana, Rosa Madrid, Andrés Vega, Evgenia Spodine, and Diego Venegas-Yazigi pp 8369–8377   DOI: 10.1021/ic3027804   Supporting Info

Role Played by Isopropyl Substituents in Stabilizing the Putative Triple Bond in Ar′EEAr′ [E = Si, Ge, Sn; Ar′ = C6H3-2,6-(C6H3-2,6-Pri2)2] and Ar*PbPbAr* [Ar* = C6H3-2,6-(C6H2-2,4,6-Pri3)2] Issaka Seidu, Michael Seth, and Tom Ziegler pp 8378–8388   DOI: 10.1021/ic401149h   Supporting Info

Synthesis and Characterization of Visible Light Absorbing (GaN)1–x(ZnO)x Semiconductor Nanorods Alexandra A. Reinert, Candace Payne, Limin Wang, James Ciston, Yimei Zhu, and Peter G. Khalifah pp 8389–8398   DOI: 10.1021/ic400011n   Supporting Info

Synthesis, Magnetism, and Electrochemistry of the Ni14- and Ni5-Containing Heteropolytungstates [Ni14(OH)6(H2O)10(HPO4)4(P2W15O56)4]34– and [Ni5(OH)4(H2O)4(β-GeW9O34)(β-GeW8O30(OH))]13– Masooma Ibrahim, Yixian Xiang, Bassem S. Bassil, Yanhua Lan, Annie K. Powell, Pedro de Oliveira, Bineta Keita, and Ulrich Kortz pp 8399–8408   DOI: 10.1021/ic400943j   Supporting Info

Anion Disorder in Lanthanoid Zirconates Gd2–xTbxZr2O7 Emily Reynolds, Peter E. R. Blanchard, Brendan J. Kennedy, Chris D. Ling, and Samuel Liu , Max Avdeev and Zhaoming Zhang , Gabriel J. Cuello , Anton Tadich , Ling-Yun Jang pp 8409–8415   DOI: 10.1021/ic4009703   Supporting Info

Endo- and Exocyclic Supramolecular Complexes of Mixed-Donor Macrocycles via [1:1] and [2:2] Cyclizations Seul-Gi Lee, Ki-Min Park, Yoichi Habata, and Shim Sung Lee pp 8416–8426   DOI: 10.1021/ic400247q   Supporting Info

New [PbBi2O4][Bi2O2]Cl2 and [PbnBi10-nO13][Bi2O2]nCl4+n Series by Association of Sizable Subunits: Relationship with Arppe’s Compound Bi24O31Cl10 and Luminescence Properties A. Aliev, J. Olchowka, M. Colmont, E. Capoen, C. Wickleder, and O. Mentré pp 8427–8435   DOI: 10.1021/ic4002708   Supporting Info

Coupling Fast Water Exchange to Slow Molecular Tumbling in Gd3+ Chelates: Why Faster Is Not Always Better Stefano Avedano, Mauro Botta, Julian S. Haigh, Dario L. Longo, and Mark Woods pp 8436–8450   DOI: 10.1021/ic400308a   Supporting Info

Hybrid Magnetic Superconductors Formed by TaS2 Layers and Spin Crossover Complexes Eugenio Coronado, Mónica Giménez-Marqués, Carlos Martí-Gastaldo, Guillermo Mínguez Espallargas, Efrén Navarro-Moratalla, and João C. Waerenborgh pp 8451–8460   DOI: 10.1021/ic400320g   Supporting Info

Stable and Highly Fluorescent Europium(III) Chelates for Time-Resolved Immunoassays Qi Wang, Katia Nchimi Nono, Markku Syrjänpää, Loïc J. Charbonnière, Jari Hovinen, and Harri Härmä pp 8461–8466   DOI: 10.1021/ic400384f

A Diruthenium Complex of a “Nindigo” Ligand Prasenjit Mondal, Fabian Ehret, Martina Bubrin, Amit Das, Shaikh M. Mobin, Wolfgang Kaim, and Goutam Kumar Lahiri pp 8467–8475   DOI: 10.1021/ic400390b   Supporting Info

π Donation and Its Effects on the Excited-State Lifetimes of Luminescent Platinum(II) Terpyridine Complexes in Solution Lauren M. Hight, Meaghan C. McGuire, Yu Zhang, Matthew A. Bork, Phillip E. Fanwick, Adam Wasserman, and David R. McMillin pp 8476–8482   DOI: 10.1021/ic4004643   Supporting Info

Increasing the Dynamic Range of Metal Ion Affinity Changes in Zn2+ Photocages Using Multiple Nitrobenzyl Groups Celina Gwizdala, Prem N. Basa, John C. MacDonald, and Shawn C. Burdette pp 8483–8494   DOI: 10.1021/ic400465g   Supporting Info

Mono- and Dinuclear Cationic Iridium(III) Complexes Bearing a 2,5-Dipyridylpyrazine (2,5-dpp) Ligand Loïc Donato, Catherine E. McCusker, Felix N. Castellano, and Eli Zysman-Colman pp 8495–8504   DOI: 10.1021/ic400478d   Supporting Info

Sandwich-Type Mixed Tetrapyrrole Rare-Earth Triple-Decker Compounds. Effect of the Coordination Geometry on the Single-Molecule-Magnet Nature Jinglan Kan, Hailong Wang, Wei Sun, Wei Cao, Jun Tao, and Jianzhuang Jiang pp 8505–8510   DOI: 10.1021/ic400485y   Supporting Info

Atom Transfer Radical Polymerization Preparation and Photophysical Properties of Polypyridylruthenium Derivatized Polystyrenes Zhen Fang, Akitaka Ito, Shahar Keinan, Zuofeng Chen, Zoe Watson, Jason Rochette, Yosuke Kanai, Darlene Taylor, Kirk S. Schanze, and Thomas J. Meyer pp 8511–8520   DOI: 10.1021/ic400520m   Supporting Info

Single- and Mixed-Linker Cr-MIL-101 Derivatives: A High-Throughput Investigation Martin Lammert, Stephan Bernt, Frederik Vermoortele, Dirk E. De Vos, and Norbert Stock pp 8521–8528   DOI: 10.1021/ic4005328   Supporting Info

Fresh Look at the Mystery of Magnetization Reversal in YVO3 Alexei A. Belik pp 8529–8539   DOI: 10.1021/ic401042x   Supporting Info

Study of the Transition Metal Ordering in Layered NaxNix/2Mn1–x/2O2 (2/3 ≤ x ≤ 1) and Consequences of Na/Li Exchange Jordi Cabana, Natasha A. Chernova, Jie Xiao, Megan Roppolo, Kellie A. Aldi, M. Stanley Whittingham, and Clare P. Grey pp 8540–8550   DOI: 10.1021/ic400579w   Supporting Info

QM/MM Structural and Spectroscopic Analysis of the Di-iron(II) and Di-iron(III) Ferroxidase Site in M Ferritin Travis V. Harris and Keiji Morokuma pp 8551–8563   DOI: 10.1021/ic4006168   Supporting Info

Corrole and Corrole Functionalized Silica Nanoparticles as New Metal Ion Chemosensors: A Case of Silver Satellite Nanoparticles Formation Carla I. M. Santos, Elisabete Oliveira, Javier Fernández-Lodeiro, Joana F. B. Barata, Sérgio M. Santos, M. Amparo F. Faustino, José A. S. Cavaleiro, M. Graça P. M. S. Neves, and Carlos Lodeiro pp 8564–8572   DOI: 10.1021/ic4006295   Supporting Info

Synthesis and Characterization of Self-Assembled Nanoscopic Metallarectangles Capable of Binding Fullerenes with Size-Selective Responses Anurag Mishra, Hyunji Jung, Min Hyung Lee, Myoung Soo Lah, and Ki-Whan Chi pp 8573–8578   DOI: 10.1021/ic401685s   Supporting Info

ON-OFF Luminescence Signaling of Hybrid Organic–Inorganic Switches Palani Natarajan and Michael Schmittel pp 8579–8590   DOI: 10.1021/ic400676j   Supporting Info

Uranyl Complexes of Alkyl-Bridged Ditopic Diaminotetraphenol Ligands and Their Use as Uranyl Ion Extractors Antti Riisiö, Ari Väisänen, and Reijo Sillanpää pp 8591–8600   DOI: 10.1021/ic400663y   Supporting Info

Alkali Metal Directed Assembly of Heterometallic Vv/M (M = Na, K, Cs) Coordination Polymers: Structures, Topological Analysis, and Oxidation Catalytic Properties Samik Gupta, Marina V. Kirillova, M. Fátima C. Guedes da Silva, Armando J. L. Pombeiro, and Alexander M. Kirillov pp 8601–8611   DOI: 10.1021/ic400743h   Supporting Info

The Effect of Synthetic Method and Annealing Temperature on Metal Site Preference in Al1–xGaxFeO3 James D. S. Walker and Andrew P. Grosvenor pp 8612–8620   DOI: 10.1021/ic4007636   Supporting Info

Elucidating Band-Selective Sensitization in Iron(II) Polypyridine-TiO2 Assemblies David N. Bowman, James H. Blew, Takashi Tsuchiya, and Elena Jakubikova pp 8621–8628   DOI: 10.1021/ic4007839   Supporting Info

Highly Ag+ Selective Tripodal Gold(I) Acetylide-based “Off–On” Luminescence Chemosensors based on 3(ππ*) Emission Switching Yu-Peng Zhou, En-Bao Liu, Jin Wang, and Hsiu-Yi Chao pp 8629–8637   DOI: 10.1021/ic400791a   Supporting Info

Phase-Transition Induced Elastic Softening and Band Gap Transition in Semiconducting PbS at High Pressure Shanmin Wang, Jianzhong Zhang, Yi Zhang, Andrew Alvarado, Jeevake Attapattu, Duanwei He, Liping Wang, Changfeng Chen, and Yusheng Zhao pp 8638–8643   DOI: 10.1021/ic400801s   Supporting Info

Synthesis, Structure Characterization, and Reversible Transformation of a Cobalt Salt of a Dilacunary γ-Keggin Silicotungstate and Sandwich-Type Di- and Tetracobalt-Containing Silicotungstate Dimers Yuji Kikukawa, Kosuke Suzuki, Kazuya Yamaguchi, and Noritaka Mizuno pp 8644–8652   DOI: 10.1021/ic4008075   Supporting Info

Multichromophoric Arrays Arranged around a Triptycene Scaffold: Synthesis and Photophysics Thomas Bura, Maria Pia Gullo, Barbara Ventura, Andrea Barbieri, and Raymond Ziessel pp 8653–8664   DOI: 10.1021/ic400809a   Supporting Info

Controlled Generation of Uniform Spherical LaMnO3, LaCoO3, Mn2O3, and Co3O4 Nanoparticles and Their High Catalytic Performance for Carbon Monoxide and Toluene Oxidation Yuxi Liu, Hongxing Dai, Jiguang Deng, Lei Zhang, Zhenxuan Zhao, Xinwei Li, Yuan Wang, Shaohua Xie, Huanggen Yang, and Guangsheng Guo pp 8665–8676   DOI: 10.1021/ic400832h   Supporting Info

Cyanide-Bridged WVMnIII Bimetallic Chains Composed of a Blocked W Hexacyanide Precursor: Geometry-Related Magnetic Couplings and Magnetostructural Correlation Jin Wuk Lee, Kwang Soo Lim, Dae Won Ryu, Eui Kwan Koh, Sung Won Yoon, Byoung Jin Suh, and Chang Seop Hong pp 8677–8684   DOI: 10.1021/ic400845z   Supporting Info

Magnetic Structures of NaFePO4 Maricite and Triphylite Polymorphs for Sodium-Ion Batteries Maxim Avdeev, Zakiah Mohamed, Chris D. Ling, Jiechen Lu, Mao Tamaru, Atsuo Yamada, and Prabeer Barpanda pp 8685–8693   DOI: 10.1021/ic400870x   Supporting Info

Synthesis Mechanism Study of Layered Double Hydroxides Based on Nanoseparation Zheng Chang, Caiying Wu, Sha Song, Yun Kuang, Xiaodong Lei, Liren Wang, and Xiaoming Sun pp 8694–8698   DOI: 10.1021/ic4008763   Supporting Info

Aluminum-1,4-cyclohexanedicarboxylates: High-Throughput and Temperature-Dependent in Situ EDXRD Studies Felicitas Niekiel, Maximilian Ackermann, Paul Guerrier, André Rothkirch, and Norbert Stock pp 8699–8705   DOI: 10.1021/ic400825b   Supporting Info

Deoxygenation of Mono-oxo Bis(dithiolene) Mo and W Complexes by Protonation Junhyeok Seo, Paul G. Williard, and Eunsuk Kim pp 8706–8712   DOI: 10.1021/ic4008747   Supporting Info

Influence of the Ligand Alkyl Chain Length on the Solubility, Aqueous Speciation, and Kinetics of Substitution Reactions of Water-Soluble M3S4 (M = Mo, W) Clusters Bearing Hydroxyalkyl Diphosphines Tomás F. Beltrán, Rosa Llusar, Maxim Sokolov, Manuel G. Basallote, M. Jesús Fernández-Trujillo, and Jose Ángel Pino-Chamorro pp 8713–8722   DOI: 10.1021/ic400897y   Supporting Info

Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La–Lu): Synthesis and Magnetostructural Studies Olga Iasco, Ghenadie Novitchi, Erwann Jeanneau, and Dominique Luneau pp 8723–8731   DOI: 10.1021/ic4009015   Supporting Info

Puzzling Polymorphism of Layered Ba(CoPO4)2 Rénald David, Houria Kabbour, Alain Pautrat, and Olivier Mentré pp 8732–8737   DOI: 10.1021/ic4009027   Supporting Info

Synthesis, Crystal Structure and Catalytic Behavior of Homo- and Heteronuclear Coordination Polymers [M(tdc)(bpy)] (M2+ = Fe2+, Co2+, Zn2+, Cd2+; tdc2– = 2,5-thiophenedicarboxylate) Florian Kettner, Christian Worch, Jens Moellmer, Roger Gläser, Reiner Staudt, and Harald Krautscheid pp 8738–8742   DOI: 10.1021/ic400857s   Supporting Info

High Yielding Preparation of Dicarba-closo-dodecaboranes Using a Silver(I) Mediated Dehydrogenative Alkyne-Insertion Reaction Antonio Toppino, Afaf R. Genady, Mohamed E. El-Zaria, James Reeve, Fargol Mostofian, Jeff Kent, and John F. Valliant pp 8743–8749   DOI: 10.1021/ic400928v   Supporting Info

Brilliant Photoluminescence and Triboluminescence from Ternary Complexes of DyIII and TbIII with 3-Phenyl-4-propanoyl-5-isoxazolonate and a Bidentate Phosphine Oxide Coligand S. Biju, N. Gopakumar, J.-C. G. Bünzli, R. Scopelliti, H. K. Kim, and M. L. P. Reddy pp 8750–8758   DOI: 10.1021/ic400913f   Supporting Info

Synthesis and Spectroscopic and Spectroelectrochemical Characterization of a New Family of 44e– Tris-Phosphido-Bridged Palladium Triangles Veronica Bonuccelli, Tiziana Funaioli, Piero Leoni, Fabio Marchetti, and Lorella Marchetti pp 8759–8769   DOI: 10.1021/ic4009448   Supporting Info

Structural Variability in Multifunctional Metal Xylenediaminetetraphosphonate Hybrids Rosario M. P. Colodrero, Giasemi K. Angeli, Montse Bazaga-Garcia, Pascual Olivera-Pastor, Didier Villemin, Enrique R. Losilla, Estefania Q. Martos, Gary B. Hix, Miguel A. G. Aranda, Konstantinos D. Demadis, and Aurelio Cabeza pp 8770–8783   DOI: 10.1021/ic400951s   Supporting Info

Unprecedented Trapping of Difluorooctamolybdate Anions within an α-Polonium Type Coordination Network Olena V. Sharga, Andrey B. Lysenko, Marcel Handke, Harald Krautscheid, Eduard B. Rusanov, Alexander N. Chernega, Karl W. Krämer, Shi-Xia Liu, Silvio Decurtins, Adam Bridgeman, and Konstantin V. Domasevitch pp 8784–8794   DOI: 10.1021/ic400954x   Supporting Info

Tracking of Tuning Effects in Bis-Cyclometalated Iridium Complexes: A Combined Time Resolved Infrared Spectroscopy, Electrochemical, and Computational Study Danielle N. Chirdon, Catherine E. McCusker, Felix N. Castellano, and Stefan Bernhard pp 8795–8804   DOI: 10.1021/ic401009q   Supporting Info

Solution Thermodynamic Stability of Complexes Formed with the Octadentate Hydroxypyridinonate Ligand 3,4,3-LI(1,2-HOPO): A Critical Feature for Efficient Chelation of Lanthanide(IV) and Actinide(IV) Ions Gauthier J-P. Deblonde, Manuel Sturzbecher-Hoehne, and Rebecca J. Abergel pp 8805–8811   DOI: 10.1021/ic4010246

A Two-Dimensional Oxamate- and Oxalate-Bridged CuIIMnII Motif: Crystal Structure and Magnetic Properties of (Bu4N)2[Mn2{Cu(opba)}2ox] Maria V. Marinho, Tatiana R. G. Simões, Marcos A. Ribeiro, Cynthia L. M. Pereira, Flávia C. Machado, Carlos B. Pinheiro, Humberto O. Stumpf, Joan Cano, Francesc Lloret, and Miguel Julve pp 8812–8819   DOI: 10.1021/ic401038c   Supporting Info

Theory of Divalent Main Group H2 Activation: Electronics and Quasiclassical Trajectories Deepa Devarajan, Charles E. Doubleday, and Daniel H. Ess pp 8820–8833   DOI: 10.1021/ic4010399   Supporting Info

Synthesis and Characterization of Functionalized meso-Triaryltetrabenzocorroles Giuseppe Pomarico, Sara Nardis, Manuela Stefanelli, Daniel O. Cicero, M. Graça H. Vicente, Yuanyuan Fang, Ping Chen, Karl M. Kadish, and Roberto Paolesse pp 8834–8844   DOI: 10.1021/ic4010467   Supporting Info

Water Oxidation with Mononuclear Ruthenium(II) Polypyridine Complexes Involving a Direct RuIV═O Pathway in Neutral and Alkaline Media Yosra M. Badiei, Dmitry E. Polyansky, James T. Muckerman, David J. Szalda, Rubabe Haberdar, Ruifa Zong, Randolph P. Thummel, and Etsuko Fujita pp 8845–8850   DOI: 10.1021/ic401023w   Supporting Info

Functionalization Reactions Characteristic of a Robust Bicyclic Diphosphane Framework Daniel Tofan, Manuel Temprado, Subhojit Majumdar, Carl D. Hoff, and Christopher C. Cummins pp 8851–8864   DOI: 10.1021/ic401052a   Supporting Info

Large Mid-IR Second-Order Nonlinear-Optical Effects Designed by the Supramolecular Assembly of Different Bond Types without IR Absorption Xiao-Ming Jiang, Guan-E Wang, Zhi-Fa Liu, Ming-Jian Zhang, and Guo-Cong Guo pp 8865–8871   DOI: 10.1021/ic401056t   Supporting Info

Unusual Phase Behavior in the Piezoelectric Perovskite System, LixNa1–xNbO3 Martin D. Peel, Sharon E. Ashbrook, and Philip Lightfoot pp 8872–8880   DOI: 10.1021/ic401061t   Supporting Info

Nonclassic Metallointercalators with Dipyridophenazine: DNA Interaction Studies and Leishmanicidal Activity João Madureira, Catarina I. V. Ramos, Mónica Marques, Carla Maia, Bruno de Sousa, Lenea Campino, M. Graça Santana-Marques, and Nicholas Farrell pp 8881–8894   DOI: 10.1021/ic401067d   Supporting Info

Copper(II) Complexes with Highly Water-Soluble l- and d-Proline–Thiosemicarbazone Conjugates as Potential Inhibitors of Topoisomerase IIα Felix Bacher, Éva A. Enyedy, Nóra V. Nagy, Antal Rockenbauer, Gabriella M. Bognár, Robert Trondl, Maria S. Novak, Erik Klapproth, Tamás Kiss, and Vladimir B. Arion pp 8895–8908   DOI: 10.1021/ic401079w   Supporting Info

Structural, Spectroscopic, and Computational Characterization of the Azide Adduct of FeIII(2,6-diacetylpyridinebis(semioxamazide)), a Functional Analogue of Iron Superoxide Dismutase Craig T. Gutman, Ilia A. Guzei, and Thomas C. Brunold pp 8909–8918   DOI: 10.1021/ic401098x   Supporting Info

Counteranion and Solvent Assistance in Ruthenium-Mediated Alkyne to Vinylidene Isomerizations Manuel Jiménez-Tenorio, M. Carmen Puerta, and Pedro Valerga , Manuel A. Ortuño, Gregori Ujaque, and Agustí Lledós pp 8919–8932   DOI: 10.1021/ic401119p   Supporting Info

Field-Induced Single-Ion Magnets Based on Enantiopure Chiral β-Diketonate Ligands Cai-Ming Liu, De-Qing Zhang, and Dao-Ben Zhu pp 8933–8940   DOI: 10.1021/ic4011218   Supporting Info

Structural, Spectroscopic, and Computational Studies on Tl4Si5O12: A Microporous Thallium Silicate Volker Kahlenberg, Lukas Perfler, Jürgen Konzett, and Peter Blaha pp 8941–8949   DOI: 10.1021/ic401118s   Supporting Info

Activation of Rhenium(I) Toward Substitution in fac-[Re(N,O′-Bid)(CO)3(HOCH3)] by Schiff-Base Bidentate Ligands (N,O′-Bid) Alice Brink, Hendrik G. Visser, and Andreas Roodt pp 8950–8961   DOI: 10.1021/ic401115j   Supporting Info

Structural Modification on Copper(I)-pyridylpyrimidine Complexes for Modulation of Rotational Dynamics, Redox Properties, and Phototriggered Isomerization Michihiro Nishikawa, Yusuke Takara, Yohei Hattori, Kuniharu Nomoto, Tetsuro Kusamoto, Shoko Kume, and Hiroshi Nishihara pp 8962–8970   DOI: 10.1021/ic4011295   Supporting Info

Synthesis, Structure, and Properties of Two Zintl Phases around the Composition SrLiAs Xian-Juan Feng, Yurii Prots, Marcus Peter Schmidt, Stefan Hoffmann, Igor Veremchuk, Walter Schnelle, Ulrich Burkhardt, Jing-Tai Zhao, and Yuri Grin pp 8971–8978   DOI: 10.1021/ic401166v   Supporting Info

Pb2B3O5.5(OH)2 and [Pb3(B3O7)](NO3): Facile Syntheses of New Lead(II) Borates by Simply Changing the pH Values of the Reaction Systems Jun-Ling Song, Chun-Li Hu, Xiang Xu, Fang Kong, and Jiang-Gao Mao pp 8979–8986   DOI: 10.1021/ic401175r   Supporting Info

Carboxylate-Functionalized Phosphomolybdates: Ligand-Directed Conformations Donghui Yang, Suzhi Li, Pengtao Ma, Jingping Wang, and Jingyang Niu pp 8987–8992   DOI: 10.1021/ic401176j   Supporting Info

Triarylphosphine Ligands with Pendant Electron-Rich “[Fe(κ2-dppe)(η5-C5Me5)(C≡C)]–” Substituents Ayham Tohmé, Guillaume Grelaud, Gilles Argouarch, Thierry Roisnel, Arnaud Bondon, and Frédéric Paul pp 8993–9004   DOI: 10.1021/ic4011828   Supporting Info

Reactivity of the Anionic Diphosphorus Complex [Mo2Cp2(μ-PCy2)(μ-κ2:κ2-P2)(CO)2]− toward Phosphorus- and Transition Metal-Based Electrophiles M. Angeles Alvarez, M. Esther García, Daniel García-Vivó, Raquel Lozano, Alberto Ramos, and Miguel A. Ruiz pp 9005–9018   DOI: 10.1021/ic401204j   Supporting Info

Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties Constantinos C. Stoumpos, Christos D. Malliakas, and Mercouri G. Kanatzidis pp 9019–9038   DOI: 10.1021/ic401215x   Supporting Info

New Uses for Old Drugs: Attempts to Convert Quinolone Antibacterials into Potential Anticancer Agents Containing Ruthenium Jakob Kljun, Ioannis Bratsos, Enzo Alessio, George Psomas, Urška Repnik, Miha Butinar, Boris Turk, and Iztok Turel pp 9039–9052   DOI: 10.1021/ic401220x   Supporting Info

Porous Metal–Organic Framework Catalyzing the Three-Component Coupling of Sulfonyl Azide, Alkyne, and Amine Tao Yang, Hao Cui, Changhe Zhang, Li Zhang, and Cheng-Yong Su pp 9053–9059   DOI: 10.1021/ic4012229   Supporting Info

Structure and Reactivity of Distanna[2]metallocenophanes of Ruthenium and Osmium Holger Braunschweig, Florian Hupp, Thomas Kramer, and Julian Mager pp 9060–9065   DOI: 10.1021/ic4012247   Supporting Info

Silver(I) Multiple Salts Assembled with Phosphonate, Perfluorocarboxylate, and the Multinuclear Silver-Ethynediide Supramolecular Synthon Ting Hu and Thomas C. W. Mak pp 9066–9076   DOI: 10.1021/ic401259r   Supporting Info

New Mechanism for the Ring-Opening Polymerization of Lactones? Uranyl Aryloxide-Induced Intermolecular Catalysis Aurora Walshe, Jian Fang, Laurent Maron, and Robert J. Baker pp 9077–9086   DOI: 10.1021/ic401275e   Supporting Info

Carbon Insertion into arachno-6,9-C2B8H14 via Acyl Chlorides. Skeletal Alkylcarbonation (SAC) Reactions: A New Route for Tricarbollides Mario Bakardjiev, Bohumil Štíbr, Josef Holub, Zdeňka Padělková, and Aleš Růžička pp 9087–9093   DOI: 10.1021/ic401293g   Supporting Info

Photocatalytic Hydrogen Generation System Using a Nickel-Thiolate Hexameric Cluster Husain N. Kagalwala, Eric Gottlieb, Gao Li, Tao Li, Rongchao Jin, and Stefan Bernhard pp 9094–9101   DOI: 10.1021/ic4013069   Supporting Info

New Polar Intermetallic Phases RE2Zn5Tt (RE = La–Nd; Tt = Sn and Pb): Synthesis, Structure, Chemical Bonding, and Magnetic Properties Nian-Tzu Suen and Svilen Bobev pp 9102–9110   DOI: 10.1021/ic401339v   Supporting Info

Reinvestigation of Np2Se5: A Clear Divergence from Th2S5 and Th2Se5 in Chalcogen–Chalcogen and Metal–Chalcogen Interactions Geng Bang Jin, Yung-Jin Hu, Brian Bellott, S. Skanthakumar, Richard G. Haire, L. Soderholm, and James A. Ibers pp 9111–9118   DOI: 10.1021/ic401384t   Supporting Info

Iridium and Ruthenium Catalyzed Syntheses, Hydroborations, and Metathesis Reactions of Alkenyl-Decaboranes Shahana Chatterjee, Patrick J. Carroll, and Larry G. Sneddon pp 9119–9130   DOI: 10.1021/ic401356u   Supporting Info

A Comparative Study of LiCoO2 Polymorphs: Structural and Electrochemical Characterization of O2-, O3-, and O4-type Phases Naoaki Yabuuchi, Yuta Kawamoto, Ryo Hara, Toru Ishigaki, Akinori Hoshikawa, Masao Yonemura, Takashi Kamiyama, and Shinichi Komaba pp 9131–9142   DOI: 10.1021/ic4013922   Supporting Info

Theoretical Study of Structural, Spectroscopic and Reaction Properties of trans-bis(imido) Uranium(VI) Complexes Yuan-Ru Guo, Qian Wu, Samuel O. Odoh, Georg Schreckenbach, and Qing-Jiang Pan pp 9143–9152   DOI: 10.1021/ic401440w   Supporting Info

Fe as Hydrogen/Halogen Bond Acceptor in Square Pyramidal Fe(CO)5 P. Aiswaryalakshmi, Devendra Mani, and E. Arunan pp 9153–9161   DOI: 10.1021/ic4015114   Supporting Info

Issue 16

An Unprecedented Decanuclear GdIII Cluster for Magnetic Refrigeration Sui-Jun Liu, Jiong-Peng Zhao, Jun Tao, Ji-Min Jia, Song-De Han, Yue Li, Yan-Cong Chen, and Xian-He Bu pp 9163–9165   DOI: 10.1021/ic400487m   Supporting Info

Controlled Formation of Emissive Silver Nanoclusters Using Rationally Designed Metal-Binding Proteins Vasily A. Morozov and Michael Y. Ogawa pp 9166–9168   DOI: 10.1021/ic400760v   Supporting Info

Structural Assembly from Phosphate to Germanophosphate by Applying Germanate as a Binder Ya-Xi Huang, Biao Liu, Lei Wen, Xin Zhang, Wei Sun, Jun Lin, Chun-Zuo Huang, Rong-Chuan Zhuang, Jin-Xiao Mi, and Jing-Tai Zhao pp 9169–9171   DOI: 10.1021/ic401329d   Supporting Info

Mixed-Valence Uranium(V,VI) and Uranyl Oxyhydroxides Synthesized under High-Temperature, High-Pressure Hydrothermal Conditions: Na5[U5O16(OH)2] and Na5[U5O17(OH)] Hsin-Kuang Liu and Kwang-Hwa Lii pp 9172–9174   DOI: 10.1021/ic401690s   Supporting Info

Iridium Dihydroxybipyridine Complexes Show That Ligand Deprotonation Dramatically Speeds Rates of Catalytic Water Oxidation Joseph DePasquale, Ismael Nieto, Lauren E. Reuther, Corey J. Herbst-Gervasoni, Jared J. Paul, Vadym Mochalin, Matthias Zeller, Christine M. Thomas, Anthony W. Addison, and Elizabeth T. Papish pp 9175–9183   DOI: 10.1021/ic302448d   Supporting Info

Highly Uniform α-NaYF4:Yb/Er Hollow Microspheres and Their Application as Drug Carrier Yunhua Han, Shili Gai, Ping’an Ma, Liuzhen Wang, Milin Zhang, Shaohua Huang, and Piaoping Yang pp 9184–9191   DOI: 10.1021/ic4001818   Supporting Info

Design of Medium Band Gap Ag–Bi–Nb–O and Ag–Bi–Ta–O Semiconductors for Driving Direct Water Splitting with Visible Light Limin Wang, Bingfei Cao, Wei Kang, Mark Hybertsen, Kazuhiko Maeda, Kazunari Domen, and Peter G. Khalifah pp 9192–9205   DOI: 10.1021/ic400089s   Supporting Info

Absorption and Electrochemical Properties of Cobalt and Iron Phthalocyanines and Their Quaternized Derivatives: Aggregation Equilibrium and Oxygen Reduction Electrocatalysis Thiago Teixeira Tasso, Taniyuki Furuyama, and Nagao Kobayashi pp 9206–9215   DOI: 10.1021/ic4002048   Supporting Info

Mixed-Valent Dicobalt and Iron–Cobalt Complexes with High-Spin Configurations and Short Metal–Metal Bonds Christopher M. Zall, Laura J. Clouston, Victor G. Young, Jr., Keying Ding, Hyun Jung Kim, Danylo Zherebetskyy, Yu-Sheng Chen, Eckhard Bill, Laura Gagliardi, and Connie C. Lu pp 9216–9228   DOI: 10.1021/ic400292g   Supporting Info

Assessing the Impact of Electronic and Steric Tuning of the Ligand in the Spin State and Catalytic Oxidation Ability of the FeII(Pytacn) Family of Complexes Irene Prat, Anna Company, Teresa Corona, Teodor Parella, Xavi Ribas, and Miquel Costas pp 9229–9244   DOI: 10.1021/ic4004033   Supporting Info

Substituent Effects on the Biological Properties of Zn-Salophen Complexes Ilaria Giannicchi, Rosa Brissos, David Ramos, Joaquin de Lapuente, João Carlos Lima, Antonella Dalla Cort, and Laura Rodríguez pp 9245–9253   DOI: 10.1021/ic4004356   Supporting Info

Photophysical Properties of Endohedral Amine-Functionalized Bis(phosphine) Pt(II) Complexes as Models for Emissive Metallacycles J. Bryant Pollock, Timothy R. Cook, Gregory L. Schneider, Daniel A. Lutterman, Andrew S. Davies, and Peter J. Stang pp 9254–9265   DOI: 10.1021/ic400491q   Supporting Info

Tuning the Photophysical Properties of anti-B18H22: Efficient Intersystem Crossing between Excited Singlet and Triplet States in New 4,4′-(HS)2-anti-B18H20. Vicenta Saurí, Josep M. Oliva, Drahomír Hnyk, Jonathan Bould, Jakub Braborec, Manuela Merchán, Pavel Kubát, Ivana Císařová, Kamil Lang, and Michael G. S. Londesborough pp 9266–9274   DOI: 10.1021/ic4004559   Supporting Info

Synthesis, Structure, and Optical and Redox Properties of Chlorophyll Derivatives Directly Coordinating Ruthenium Bisbipyridine at the Peripheral β-Diketonate Moiety Yusuke Kinoshita, Youhei Yamamoto, and Hitoshi Tamiaki pp 9275–9283   DOI: 10.1021/ic400509q   Supporting Info

Exploring the Assembly of Supramolecular Polyoxometalate Triangular Morphologies with Johnson Solid Cores: [(MnII(H2O)3)2(K{α-GeW10MnII2O38}3)]19– Pedro I. Molina, Haralampos N. Miras, De-Liang Long, and Leroy Cronin pp 9284–9289   DOI: 10.1021/ic400542x   Supporting Info

Structural Factors That Enhance Lithium Mobility in Fast-Ion Li1+xTi2–xAlx(PO4)3 (0 ≤ x ≤ 0.4) Conductors Investigated by Neutron Diffraction in the Temperature Range 100–500 K K. Arbi, M. Hoelzel, A. Kuhn, F. García-Alvarado, and J. Sanz pp 9290–9296   DOI: 10.1021/ic400577v   Supporting Info

Synthesis, Spectroscopic Properties, and Photoinduced CO-Release Studies of Functionalized Ruthenium(II) Polypyridyl Complexes: Versatile Building Blocks for Development of CORM–Peptide Nucleic Acid Bioconjugates Caroline Bischof, Tanmaya Joshi, Aakanksha Dimri, Leone Spiccia, and Ulrich Schatzschneider pp 9297–9308   DOI: 10.1021/ic400746n   Supporting Info

A Trigonal Prismatic Ligand in the Metal-Mediated Self-Assembly of One- and Two-Dimensional Metallosupramolecular Polymers Wen-Jing Hu, Long-Qing Liu, Ming-Liang Ma, Xiao-Li Zhao, Yahu A. Liu, Xian-Qiang Mi, Biao Jiang, and Ke Wen pp 9309–9319   DOI: 10.1021/ic400751n   Supporting Info

Porous Ionic Crystals Modified by Post-Synthesis of K2[Cr3O(OOCH)6(etpy)3]2[α-SiW12O40]·8H2O through Single-Crystal-to-Single-Crystal Transformation Sayaka Uchida, Eri Takahashi, and Noritaka Mizuno pp 9320–9326   DOI: 10.1021/ic4008334   Supporting Info

Aryl-Linked Salicylaldoxime-Based Copper(II) Helicates and “Boxes”: Synthesis, X-ray Analysis, and Anion Influence on Complex Structure Ajay Pal Singh Pannu, James R. Stevens, and Paul G. Plieger pp 9327–9337   DOI: 10.1021/ic400829d   Supporting Info

Origin of Small Barriers in Jahn–Teller Systems: Quantifying the Role of 3d–4s Hybridization in the Model System NaCl:Ni+ M. T. Barriuso, B. Ortiz-Sevilla, J. A. Aramburu, P. García-Fernández, J. M. García-Lastra, and M. Moreno pp 9338–9348   DOI: 10.1021/ic4009009   Supporting Info

Expected and Unexpected Transformations of Manganese(III) Tris(4-nitrophenyl)corrole Pinky Singh, Gargi Dutta, Israel Goldberg, Atif Mahammed, and Zeev Gross pp 9349–9355   DOI: 10.1021/ic400918d   Supporting Info

First-Principles Study of Microporous Magnets M-MOF-74 (M = Ni, Co, Fe, Mn): the Role of Metal Centers Qiuju Zhang, Baihai Li, and Liang Chen pp 9356–9362   DOI: 10.1021/ic400927m   Supporting Info

Visible Light Water Oxidation Using a Co-Catalyst Loaded Anatase-Structured Ti1–(5x/4)NbxO2–y–δNy Compound Tanya M. Breault, James J. Brancho, Ping Guo, and Bart M. Bartlett pp 9363–9368   DOI: 10.1021/ic400932m   Supporting Info

New Media for Classical Coordination Chemistry: Phase Transfer of Werner and Related Polycations into Highly Nonpolar Fluorous Solvents Subrata K. Ghosh, Ann Sullivan Ojeda, Juan Guerrero-Leal, Nattamai Bhuvanesh, and John A. Gladysz pp 9369–9378   DOI: 10.1021/ic400945u   Supporting Info

Single-Ion Magnetic Anisotropy and Isotropic Magnetic Couplings in the Metal–Organic Framework Fe2(dobdc) Rémi Maurice, Pragya Verma, Joseph M. Zadrozny, Sijie Luo, Joshua Borycz, Jeffrey R. Long, Donald G. Truhlar, and Laura Gagliardi pp 9379–9389   DOI: 10.1021/ic400953e   Supporting Info

Basis for Sensitive and Selective Time-Delayed Luminescence Detection of Hydroxyl Radical by Lanthanide Complexes Katie L. Peterson, Maximilian J. Margherio, Phi Doan, Kyle T. Wilke, and Valérie C. Pierre pp 9390–9398   DOI: 10.1021/ic4009569   Supporting Info

β-Mn-Type Co8+xZn12–x as a Defect Cubic Laves Phase: Site Preferences, Magnetism, and Electronic Structure Weiwei Xie, Srinivasa Thimmaiah, Jagat Lamsal, Jing Liu, Thomas W. Heitmann, Dante Quirinale, Alan I. Goldman, Vitalij Pecharsky, and Gordon J. Miller pp 9399–9408   DOI: 10.1021/ic4009653   Supporting Info

Zero-Field Splitting in Pseudotetrahedral Co(II) Complexes: a Magnetic, High-Frequency and -Field EPR, and Computational Study Monika Idešicová, Ján Titiš, J. Krzystek, and Roman Boča pp 9409–9417   DOI: 10.1021/ic400980b   Supporting Info

Cyclodextrin Capped Gold Nanoparticles as a Delivery Vehicle for a Prodrug of Cisplatin Yi Shi, Jerry Goodisman, and James C. Dabrowiak pp 9418–9426   DOI: 10.1021/ic400989v   Supporting Info

Toward the Understanding of Radical Reactions: Experimental and Computational Studies of Titanium(III) Diamine Bis(phenolate) Complexes Sónia Barroso, Filipe Madeira, Maria José Calhorda, M. João Ferreira, M. Teresa Duarte, and Ana M. Martins pp 9427–9439   DOI: 10.1021/ic401008y   Supporting Info

Tris(2-pyridylborate) (Tpyb) Metal Complexes: Synthesis, Characterization, and Formation of Extrinsically Porous Materials with Large Cylindrical Channels Chengzhong Cui, Patrick R. Shipman, Roger A. Lalancette, and Frieder Jäkle pp 9440–9448   DOI: 10.1021/ic4010664   Supporting Info

Hierarchical MnO2/SnO2 Heterostructures for a Novel Free-Standing Ternary Thermite Membrane Yong Yang, Zhi-Cheng Zhang, Peng-Peng Wang, Jing-Chao Zhang, Farhat Nosheen, Jing Zhuang, and Xun Wang pp 9449–9455   DOI: 10.1021/ic401068n   Supporting Info

Spontaneous Formation in the Dark, and Visible Light-Induced Cleavage, of a Ru–S Bond in Water: A Thermodynamic and Kinetic Study Azadeh Bahreman, Bart Limburg, Maxime A. Siegler, Elisabeth Bouwman, and Sylvestre Bonnet pp 9456–9469   DOI: 10.1021/ic401105v   Supporting Info

Mo- and W-Based Organic Nanostructures Prepared from Bulk Crystal Isomorphs Consisted of [(CH3CH2)3NH)]2[MO2(C14H6O4)2] (M = Mo, W) B. Zhang, S. Z. Du, X. M. Lu, G. Wang, and J. Fen pp 9470–9478   DOI: 10.1021/ic401125e   Supporting Info

Synthesis and Structural Characterization of Base-Stabilized Oligomeric Heterovinylidenes Wing-Por Leung, Wang-Kin Chiu, and Thomas C. W. Mak pp 9479–9486   DOI: 10.1021/ic4011345   Supporting Info

Series of Uranyl-4,4′-biphenyldicarboxylates and an Occurrence of a Cation–Cation Interaction: Hydrothermal Synthesis and in Situ Raman Studies Paula M. Cantos, Laurent J. Jouffret, Richard E. Wilson, Peter C. Burns, and Christopher L. Cahill pp 9487–9495   DOI: 10.1021/ic401143g   Supporting Info

Synthesis, Characterization, and Electron-Transfer Processes in Indium Ferrocenyl-Containing Porphyrins and Their Fullerene Adducts Samantha J. Dammer, Pavlo V. Solntsev, Jared R. Sabin, and Victor N. Nemykin pp 9496–9510   DOI: 10.1021/ic401163y   Supporting Info

Synthesis and Oxidative Reactivity of 2,2′-Pyridylpyrrolide Complexes of Ni(II) Nikolay P. Tsvetkov, Chun-Hsing Chen, José G. Andino, Richard L. Lord, Maren Pink, René W. Buell, and Kenneth G. Caulton pp 9511–9521   DOI: 10.1021/ic4011746   Supporting Info

Water Oxidation Catalysis with Nonheme Iron Complexes under Acidic and Basic Conditions: Homogeneous or Heterogeneous? Dachao Hong, Sukanta Mandal, Yusuke Yamada, Yong-Min Lee, Wonwoo Nam, Antoni Llobet, and Shunichi Fukuzumi pp 9522–9531   DOI: 10.1021/ic401180r   Supporting Info

Electrochemically Driven Intramolecular Oxidative Aromatic Coupling as a Pathway toward π-Extended Porphyrins Ping Chen, Yuanyuan Fang, Karl M. Kadish, Jan P. Lewtak, Dominik Koszelewski, Anita Janiga, and Daniel T. Gryko pp 9532–9538   DOI: 10.1021/ic401214e   Supporting Info

Effects of Metal Coordination on the π-System of the 2,5-Bis-{(pyrrolidino)-methyl}-pyrrole Pincer Ligand Christian Maaß, Diego M. Andrada, Ricardo A. Mata, Regine Herbst-Irmer, and Dietmar Stalke pp 9539–9548   DOI: 10.1021/ic401192x   Supporting Info

Synthesis, Structure, and Reactivity of Lanthanide Complexes Incorporating Indolyl Ligands in Novel Hapticities Zhijun Feng, Xiancui Zhu, Shaoyin Wang, Shaowu Wang, Shuangliu Zhou, Yun Wei, Guangchao Zhang, Baojia Deng, and Xiaolong Mu pp 9549–9556   DOI: 10.1021/ic401515q   Supporting Info

Oxygen-Atom Transfer from Iodosylarene Adducts of a Manganese(IV) Salen Complex: Effect of Arenes and Anions on I(III) of the Coordinated Iodosylarene Chunlan Wang, Takuya Kurahashi, Kensuke Inomata, Masahiko Hada, and Hiroshi Fujii pp 9557–9566   DOI: 10.1021/ic401270j   Supporting Info

Inorganic Stressors of Ubiquitin Giuseppe Arena, Francesco Bellia, Giuseppina Frasca, Giulia Grasso, Valeria Lanza, Enrico Rizzarelli, Giovanni Tabbì, Valeria Zito, and Danilo Milardi pp 9567–9573   DOI: 10.1021/ic401276x

Ligand Coordination and Spin Crossover in a Nickel Porphyrin Anchored to Mesoporous TiO2 Thin Films Darren Achey and Gerald J. Meyer pp 9574–9582   DOI: 10.1021/ic401286a   Supporting Info

Multimetallic Complexes Featuring a Bridging N-heterocyclic Phosphido/Phosphenium Ligand: Synthesis, Structure, and Theoretical Investigation Baofei Pan, Deirdra A. Evers-McGregor, Mark W. Bezpalko, Bruce M. Foxman, and Christine M. Thomas pp 9583–9589   DOI: 10.1021/ic4012873   Supporting Info

A General Approach to Spindle-Assembled Lanthanide Borate Nanocrystals and Their Photoluminescence upon Eu3+/Tb3+ Doping Yubin Zeng, Zhengquan Li, Yingfang Liang, Xiaoqin Gan, and Mengmeng Zheng pp 9590–9596   DOI: 10.1021/ic401299h   Supporting Info

Homo- and Heterometal Complexes of Oxido–Metal Ions with a Triangular [V(V)O–MO–V(V)O] [M = V(IV) and Re(V)] Core: Reporting Mixed-Oxidation Oxido–Vanadium(V/IV/V) Compounds with Valence Trapped Structures Kisholoy Bhattacharya, Manoranjan Maity, Sk Md Towsif Abtab, Mithun Chandra Majee, and Muktimoy Chaudhury pp 9597–9605   DOI: 10.1021/ic4013203   Supporting Info

CuCl2 for the Isolation of a Broad Array of Endohedral Fullerenes Containing Metallic, Metallic Carbide, Metallic Nitride, and Metallic Oxide Clusters, and Separation of Their Structural Isomers Steven Stevenson and Khristina A. Rottinger pp 9606–9612   DOI: 10.1021/ic4013476   Supporting Info

Synthesis and Isomerization of N-Fused Tetraphenylporphyrin Ruthenium(II) Complexes Motoki Toganoh, Hideaki Matsuo, Ayumi Sato, Yuya Hirashima, and Hiroyuki Furuta pp 9613–9619   DOI: 10.1021/ic401314a   Supporting Info

Dilution-Triggered SMM Behavior under Zero Field in a Luminescent Zn2Dy2 Tetranuclear Complex Incorporating Carbonato-Bridging Ligands Derived from Atmospheric CO2 Fixation Silvia Titos-Padilla, José Ruiz, Juan Manuel Herrera, Euan K. Brechin, Wolfgang Wersndorfer, Francesc Lloret, and Enrique Colacio pp 9620–9626   DOI: 10.1021/ic401378k   Supporting Info

Magnetic Properties of the RbMnPO4 Zeolite-ABW-Type Material: A Frustrated Zigzag Spin Chain Gwilherm Nénert, Jerry Bettis, Jr., Reinhard Kremer, Hamdi Ben Yahia, Clemens Ritter, Etienne Gaudin, Olivier Isnard, and Myung-Hwan Whangbo pp 9627–9635   DOI: 10.1021/ic401408f   Supporting Info

Synthesis, Structures, and Dearomatization by Deprotonation of Iron Complexes Featuring Bipyridine-based PNN Pincer Ligands Thomas Zell, Robert Langer, Mark A. Iron, Leonid Konstantinovski, Linda J. W. Shimon, Yael Diskin-Posner, Gregory Leitus, Ekambaram Balaraman, Yehoshoa Ben-David, and David Milstein pp 9636–9649   DOI: 10.1021/ic401432m   Supporting Info

Oxidation-Potential Tuning of Tungsten–Alkylidyne Complexes over a 2 V Range Daniel E. Haines, Daniel C. O’Hanlon, Joseph Manna, Marya K. Jones, Sarah E. Shaner, Jibin Sun, and Michael D. Hopkins pp 9650–9658   DOI: 10.1021/ic401450u   Supporting Info

Azido, Triazolyl, and Alkynyl Complexes of Gold(I): Syntheses, Structures, and Ligand Effects Thomas J. Robilotto, Nihal Deligonul, James B. Updegraff, III, and Thomas G. Gray pp 9659–9668   DOI: 10.1021/ic4014569   Supporting Info

Tracing Hydrogen Bonding Au···H–C at Gold Atoms: A Case Study Florian Kraus, Hubert Schmidbaur, and Salih S. Al-juaid pp 9669–9674   DOI: 10.1021/ic4014762

New {RuNO} Polyoxometalate [PW11O39RuII(NO)]4-: Synthesis and Reactivity Maxim N. Sokolov, Sergey A. Adonin, Dmitry A. Mainichev, Pavel L. Sinkevich, C. Vicent, Nikolay B. Kompankov, Artem L. Gushchin, V.A. Nadolinny, and Vladimir P. Fedin pp 9675–9682   DOI: 10.1021/ic401492q   Supporting Info

Hydrogen Bonding and Electron Transfer between Dimetal Paddlewheel Compounds Containing Pendant 2-Pyridone Functional Groups Luke A. Wilkinson, Laura McNeill, Paul A. Scattergood, and Nathan J. Patmore pp 9683–9691   DOI: 10.1021/ic401555g   Supporting Info

Synthesis and Structure of Perovskite ScMnO3 Haiyan Chen, Tian Yu, Peng Gao, Jianming Bai, Jing Tao, Trevor A. Tyson, Liping Wang, and Roger Lalancette pp 9692–9697   DOI: 10.1021/ic4016838

Issue 17

Bonding Preference of Carbon, Nitrogen, and Oxygen in Niobium-Based Rock-Salt Structures Akira Miura, Takahiro Takei, Nobuhiro Kumada, Satoshi Wada, Eisuke Magome, Chikako Moriyoshi, and Yoshihiro Kuroiwa pp 9699–9701   DOI: 10.1021/ic400830b   Supporting Info

Hierarchical Guest Exchange and Step-by-Step Activation of a Biporous Coordination Framework Sergey A. Sapchenko, Denis G. Samsonenko, Danil N. Dybtsev, and Vladimir P. Fedin pp 9702–9704   DOI: 10.1021/ic400940w   Supporting Info

Nonporous Titanium–Oxo Molecular Clusters That Reversibly and Selectively Adsorb Carbon Dioxide Keunil Hong and Hyungphil Chun pp 9705–9707   DOI: 10.1021/ic401122u   Supporting Info

Fate of a Giant {Mo72Fe30}-Type Polyoxometalate Cluster in an Aqueous Solution at Higher Temperature: Understanding Related Keplerate Chemistry, from Molecule to Material Raju Mekala, Sabbani Supriya, and Samar K. Das pp 9708–9710   DOI: 10.1021/ic401281x   Supporting Info

Difluorodioxophosphate-Based Hollow Hexanuclear Lanthanide(III) Clusters Decorated with Tetrathiafulvalene Ligands Tamyris T. da Cunha, Fabrice Pointillart, Boris Le Guennic, Cynthia L. M. Pereira, Stéphane Golhen, Olivier Cador, and Lahcène Ouahab pp 9711–9713   DOI: 10.1021/ic4012839   Supporting Info

Multiredox Active [3 × 3] Copper Grids Hiroki Sato, Lisa Miya, Kiyotaka Mitsumoto, Takuto Matsumoto, Takuya Shiga, Graham N. Newton, and Hiroki Oshio pp 9714–9716   DOI: 10.1021/ic401445u   Supporting Info

An Unprecedented Octadecanuclear Copper(II) Pyrazolate–Phosphonate Nanocage: Synthetic, Structural, Magnetic, and Mechanistic Study Javeed Ahmad Sheikh, Himanshu Sekhar Jena, Amit Adhikary, Sajal Khatua, and Sanjit Konar pp 9717–9719   DOI: 10.1021/ic401754q   Supporting Info

Synthesis and Properties of Type-I Clathrate Phases Rb8–x–tKx□tAuyGe46–y H. Zhang, M. Baitinger, L. Fang, W. Schnelle, H. Borrmann, U. Burkhardt, A. Ormeci, J. T. Zhao, and Yu. Grin pp 9720–9726   DOI: 10.1021/ic3024315

Synthesis, Characterization, and Photophysical Properties of Heteroleptic Copper(I) Complexes with Functionalized 3-(2′-Pyridyl)-1,2,4-triazole Chelating Ligands Jing-Lin Chen, Xing-Fu Cao, Jin-Yun Wang, Li-Hua He, Zong-Yong Liu, He-Rui Wen, and Zhong-Ning Chen pp 9727–9740   DOI: 10.1021/ic4002829   Supporting Info

Structural Phase Transitions in a New Compound Eu2AgGe3 Sumanta Sarkar and Sebastian C. Peter pp 9741–9748   DOI: 10.1021/ic400369a   Supporting Info

Subunit Variation to Uncover Properties of Polyazine-Bridged Ru(II), Pt(II) Supramolecules with Low Lying Charge Separated States Providing Insight into the Functioning as H2O Reduction Photocatalysts to Produce H2 Jessica D. Knoll, Samantha L. H. Higgins, Travis A. White, and Karen J. Brewer pp 9749–9760   DOI: 10.1021/ic4004406   Supporting Info

Excited-State Interaction of Red and Green Perylene Diimides with Luminescent Ru(II) Polypyridine Complex Rajeev K. Dubey, Marja Niemi, Kimmo Kaunisto, Kati Stranius, Alexander Efimov, Nikolai V. Tkachenko, and Helge Lemmetyinen pp 9761–9773   DOI: 10.1021/ic400474b   Supporting Info

Experimental and DFT Characterization of Metal-to-Ligand Charge-Transfer Excited States of (Rutheniumammine)(Monodentate Aromatic Ligand) Chromophores Chia Nung Tsai, Yi-Han Tian, Xuetao Shi, Richard L. Lord, H. Bernhard Schlegel, Yuan Jang Chen, and John F. Endicott pp 9774–9790   DOI: 10.1021/ic4016614   Supporting Info

Synthesis and Characterization of a Novel Sodium Transition Metal Oxyfluoride: NaMnMoO3F3·H2O Jessica Nava-Avendaño, Carlos Frontera, José A. Ayllón, Judith Oró-Solé, Premkumar Senguttuvan, and M. Rosa Palacín pp 9791–9797   DOI: 10.1021/ic401447p   Supporting Info

Phosphinodi(benzylsilane) PhP{(o-C6H4CH2)SiMe2H}2: A Versatile “PSi2Hx” Pincer-Type Ligand at Ruthenium Virginia Montiel-Palma, Miguel A. Muñoz-Hernández, Cynthia A. Cuevas-Chávez, Laure Vendier, Mary Grellier, and Sylviane Sabo-Etienne pp 9798–9806   DOI: 10.1021/ic400703r   Supporting Info

Graphene/Acid Coassisted Synthesis of Ultrathin MoS2 Nanosheets with Outstanding Rate Capability for a Lithium Battery Anode Kan Zhang, Hwan-Jin Kim, Xinjian Shi, Jeong-Taik Lee, Jae-Man Choi, Min-Sang Song, and Jong Hyeok Park pp 9807–9812   DOI: 10.1021/ic400735f   Supporting Info

Efficient Sensitization of Dye-Sensitized Solar Cells by Novel Triazine-Bridged Porphyrin–Porphyrin Dyads Galateia E. Zervaki, Mahesh S. Roy, Manas K. Panda, Panagiotis A. Angaridis, Emmanouel Chrissos, Ganesh D. Sharma, and Athanassios G. Coutsolelos pp 9813–9825   DOI: 10.1021/ic400774p   Supporting Info

Excited State Properties of Diiron Dithiolate Hydrides: Implications in the Unsensitized Photocatalysis of H2 Evolution Luca Bertini, Piercarlo Fantucci, Luca De Gioia, and Giuseppe Zampella pp 9826–9841   DOI: 10.1021/ic400818t   Supporting Info

Syntheses, Structures, and Comparison of the Photophysical Properties of Cyclometalated Iridium Complexes Containing the Isomeric 1- and 2-(2′-pyridyl)pyrene Ligands Robert M. Edkins, Katharina Fucke, Michael J. G. Peach, Andrew G. Crawford, Todd B. Marder, and Andrew Beeby pp 9842–9860   DOI: 10.1021/ic400819f   Supporting Info

Enhanced Thermoelectric Figure of Merit in Stannite–Kuramite Solid Solutions Cu2+xFe1–xSnS4–y (x = 0–1) with Anisotropy Lowering Yosuke Goto, Fumihiko Naito, Rina Sato, Keigo Yoshiyasu, Takanori Itoh, Yoichi Kamihara, and Masanori Matoba pp 9861–9866   DOI: 10.1021/ic401310c   Supporting Info

Theoretical Studies on the Photoelectron and Absorption Spectra of MnO4– and TcO4– Jing Su, Wen-Hua Xu, Chao-Fei Xu, W. H. E. Schwarz, and Jun Li pp 9867–9874   DOI: 10.1021/ic4009625   Supporting Info

Metal Complexes (M = Zn, Sn, and Pb) of 2-Phosphinobenzenethiolates: Insights into Ligand Folding and Hemilability Brian M. Barry, Benjamin W. Stein, Christopher A. Larsen, Melissa N. Wirtz, William E. Geiger, Rory Waterman, and Richard A. Kemp pp 9875–9884   DOI: 10.1021/ic400990n   Supporting Info

Ruthenium(II) and Osmium(II) Complexes Bearing Bipyridine and the N-Heterocyclic Carbene-Based C^N^C Pincer Ligand: An Experimental and Density Functional Theory Study Lai-Hon Chung, Ka-Sin Cho, Jason England, Siu-Chung Chan, Karl Wieghardt, and Chun-Yuen Wong pp 9885–9896   DOI: 10.1021/ic4010196   Supporting Info

Electrocatalytic O2 Reduction Reaction by Synthetic Analogues of Cytochrome P450 and Myoglobin: In-Situ Resonance Raman and Dynamic Electrochemistry Investigations Sudipta Chatterjee, Kushal Sengupta, Subhra Samanta, Pradip Kumar Das, and Abhishek Dey pp 9897–9907   DOI: 10.1021/ic401022z   Supporting Info

Axial-Site Modifications of Paddlewheel Diruthenium(II, II) Complexes Supported by Hydrogen Bonding Wataru Kosaka, Naoto Yamamoto, and Hitoshi Miyasaka pp 9908–9914   DOI: 10.1021/ic401030r   Supporting Info

The Effect of Ligand Lipophilicity on the Nanoparticle Encapsulation of Pt(IV) Prodrugs Timothy C. Johnstone and Stephen J. Lippard pp 9915–9920   DOI: 10.1021/ic4010642   Supporting Info

Multidimensional Network Structures and Versatile Magnetic Properties of Intermolecular Compounds of a Radical–Anion Ligand, [1,2,5]Thiadiazolo[3,4-f][1,10]phenanthroline 1,1-Dioxide Yoshiaki Shuku, Rie Suizu, Alex Domingo, Carmen J. Calzado, Vincent Robert, and Kunio Awaga pp 9921–9930   DOI: 10.1021/ic401078z   Supporting Info

Quaternary Aluminum Silicides Grown in Al Flux: RE5Mn4Al23–xSix (RE = Ho, Er, Yb) and Er44Mn55(AlSi)237 Nicholas P. Calta and Mercouri G. Kanatzidis pp 9931–9940   DOI: 10.1021/ic401659y   Supporting Info

Trimetallic Borohydride Li3MZn5(BH4)15 (M = Mg, Mn) Containing Two Weakly Interconnected Frameworks Radovan Černý, Pascal Schouwink, Yolanda Sadikin, Katarina Stare, L’ubomír Smrčok, Bo Richter, and Torben R. Jensen pp 9941–9947   DOI: 10.1021/ic401139k   Supporting Info

Quantitative Vibrational Dynamics of the Metal Site in a Tin Porphyrin: An IR, NRVS, and DFT Study Bogdan M. Leu, Marek Z. Zgierski, Christian Bischoff, Ming Li, Michael Y. Hu, Jiyong Zhao, Steve W. Martin, Esen Ercan Alp, and W. Robert Scheidt pp 9948–9953   DOI: 10.1021/ic401152b   Supporting Info

X-ray Absorption Spectroscopy Proves the Trigonal-Planar Sulfur-Only Coordination of Copper(I) with High-Affinity Tripodal Pseudopeptides Anne-Solène Jullien, Christelle Gateau, Isabelle Kieffer, Denis Testemale, and Pascale Delangle pp 9954–9961   DOI: 10.1021/ic401206u   Supporting Info

Anticancer Activity and DNA Binding of a Bifunctional Ru(II) Arene Aqua-Complex with the 2,4-Diamino-6-(2-pyridyl)-1,3,5-triazine Ligand Natalia Busto, Jesús Valladolid, Marta Martínez-Alonso, Héctor J. Lozano, Félix A. Jalón, Blanca R. Manzano, A. M. Rodríguez, M. Carmen Carrión, Tarita Biver, José M. Leal, Gustavo Espino, and Begoña García pp 9962–9974   DOI: 10.1021/ic401197a   Supporting Info

Synthesis and Electrochemical Studies of Cobalt(III) Monohydride Complexes Containing Pendant Amines Eric S. Wiedner, John A. S. Roberts, William G. Dougherty, W. Scott Kassel, Daniel L. DuBois, and R. Morris Bullock pp 9975–9988   DOI: 10.1021/ic401232g   Supporting Info

Infrared Spectra and Electronic Structure Calculations for the NUN(NN)1–5 and NU(NN)1–6 Complexes in Solid Argon Lester Andrews, Xuefeng Wang, and Yu Gong , Bess Vlaisavljevich and Laura Gagliardi pp 9989–9993   DOI: 10.1021/ic401857u   Supporting Info

Templated Non-Oxide Sol-Gel Preparation of Well-Ordered Macroporous (inverse opal) Ta3N5 Films Christopher F. Mallinson, Benjamin M. Gray, Andrew L. Hector, Martyn A. McLachlan, and John R. Owen pp 9994–9999   DOI: 10.1021/ic4012718   Supporting Info

Five-Stage Near-Infrared Electrochromism in Electropolymerized Films Composed of Alternating Cyclometalated Bisruthenium and Bis-triarylamine Segments Chang-Jiang Yao, Yu-Wu Zhong, and Jiannian Yao pp 10000–10008   DOI: 10.1021/ic401288g   Supporting Info

Effect of Lone-Electron-Pair Cations on the Orientation of Crystallographic Shear Planes in Anion-Deficient Perovskites Dmitry Batuk, Maria Batuk, Artem M. Abakumov, Alexander A. Tsirlin, Catherine McCammon, Leonid Dubrovinsky, and Joke Hadermann pp 10009–10020   DOI: 10.1021/ic4012845   Supporting Info

Synthesis, Structure, and Magnetic Properties of Bithiophene- and Terthiophene-Linked Manganese Metal–Organic Frameworks Lyndsey D. Earl, Brian O. Patrick, and Michael O. Wolf pp 10021–10030   DOI: 10.1021/ic401305c   Supporting Info

A Family of Layered Chiral Porous Magnets Exhibiting Tunable Ordering Temperatures Matteo Atzori, Samia Benmansour, Guillermo Mínguez Espallargas, Miguel Clemente-León, Alexandre Abhervé, Patricia Gómez-Claramunt, Eugenio Coronado, Flavia Artizzu, Elisa Sessini, Paola Deplano, Angela Serpe, Maria Laura Mercuri, and Carlos J. Gómez García pp 10031–10040   DOI: 10.1021/ic4013284   Supporting Info

Homochiral Helical Metal–Organic Frameworks of Group 1 Metals Daniel L. Reger, Andrew Leitner, and Mark D. Smith , T. Thao Tran and P. Shiv Halasyamani pp 10041–10051   DOI: 10.1021/ic401327h   Supporting Info

Novel Reversible Zn2+-Assisted Biological Phosphate “Turn-On” Probing through Stable Aryl-hydrazone Salicylaldimine Conjugation That Attenuates Ligand Hydrolysis Olga G. Tsay, Sudesh T. Manjare, Hyungjun Kim, Kang Mun Lee, Yoon Sup Lee, and David G. Churchill pp 10052–10061   DOI: 10.1021/ic4013526   Supporting Info

Roles of the Lewis Acid and Base in the Chemical Reduction of CO2 Catalyzed by Frustrated Lewis Pairs Chern-Hooi Lim, Aaron M. Holder, James T. Hynes, and Charles B. Musgrave pp 10062–10066   DOI: 10.1021/ic4013729   Supporting Info

2,2′-Bipyridine Compounds of Group 14 Elements: A Density Functional Theory Study Jason England and Karl Wieghardt pp 10067–10079   DOI: 10.1021/ic401375a   Supporting Info

New Selenites: Hydrothermal Syntheses, Crystal Structures, and Characterization of Rb3HGa2(OH)2(SeO3)4, Rb3Ga5(SeO3)8(HSeO3)2·0.5H2O, and RbGa(SeO3)2·H2O Dong Woo Lee and Kang Min Ok pp 10080–10086   DOI: 10.1021/ic4013894   Supporting Info

Visible-Light-Induced Photooxidation of Ruthenium(II) Complex with 2,2′-Biimidazole-like Ligand by Singlet Oxygen Zheng-Zheng Li, Yan-Li Niu, Hai-Yun Zhou, Hsiu-Yi Chao, and Bao-Hui Ye pp 10087–10095   DOI: 10.1021/ic4014043   Supporting Info

Homochiral Zinc(II) Coordination Compounds Based on In-Situ-Generated Chiral Amino Acid–Tetrazole Ligands: Circular Dichroism, Excitation Light-Induced Tunable Photoluminescence, and Energetic Performance Shuai-Hua Wang, Fa-Kun Zheng, Ming-Jian Zhang, Zhi-Fa Liu, Jun Chen, Yu Xiao, A-Qing Wu, Guo-Cong Guo, and Jin-Shun Huang pp 10096–10104   DOI: 10.1021/ic401409b   Supporting Info

In Situ XRD Study of La2Ni7Hx During Hydrogen Absorption–Desorption Kenji Iwase, Kouji Sakaki, Yumiko Nakamura, and Etsuo Akiba pp 10105–10111   DOI: 10.1021/ic401419n

Substantial Cd–Cd Bonding in Ca6PtCd11: A Condensed Intermetallic Phase Built of Pentagonal Cd7 and Rectangular Cd4/2Pt Pyramids Fakhili Gulo, Saroj L. Samal, and John D. Corbett pp 10112–10118   DOI: 10.1021/ic401455c   Supporting Info

On the Track to Silica-Supported Tungsten Oxo Metathesis Catalysts: Input from 17O Solid-State NMR Nicolas Merle, Guillaume Girard, Nicolas Popoff, Aimery De Mallmann, Yassine Bouhoute, Julien Trébosc, Elise Berrier, Jean-François Paul, Christopher P. Nicholas, Iker Del Rosal, Laurent Maron, Régis M. Gauvin, Laurent Delevoye, and Mostafa Taoufik pp 10119–10130   DOI: 10.1021/ic401521m   Supporting Info

Luminescence of [Ru(bpy)2(dppz)]2+ Bound to RNA Mismatches Anna J. McConnell, Hang Song, and Jacqueline K. Barton pp 10131–10136   DOI: 10.1021/ic401531r   Supporting Info

Dicopper(II) and Dizinc(II) Complexes with Nonsymmetric Dinucleating Ligands Based on Indolo[3,2-c]quinolines: Synthesis, Structure, Cytotoxicity, and Intracellular Distribution Michael F. Primik, Simone Göschl, Samuel M. Meier, Nadine Eberherr, Michael A. Jakupec, Éva A. Enyedy, Ghenadie Novitchi, and Vladimir B. Arion pp 10137–10146   DOI: 10.1021/ic401573d   Supporting Info

Interplay between Chemical Composition and Cation Ordering in the Magnetism of Ni/Fe Layered Double Hydroxides Gonzalo Abellán, Eugenio Coronado, Carlos Martí-Gastaldo, Joao Waerenborgh, and Antonio Ribera pp 10147–10157   DOI: 10.1021/ic401576q   Supporting Info

Zirconium Complexes Supported by an N-Perfluoro-Arylated Diamidopyridyl Ligand: Synthesis of Hydrazinediido Complexes Solveig A. Scholl, Gudrun T. Plundrich, Hubert Wadepohl, and Lutz H. Gade pp 10158–10166   DOI: 10.1021/ic401603y   Supporting Info

Hexagonal Crown-Capped Zinc Oxide Micro Rods: Hydrothermal Growth and Formation Mechanism Lijing Zhang, Xiaomiao Liu, Chong Geng, Huajing Fang, Zhipeng Lian, Xiaoqing Wang, Dezhong Shen, and Qingfeng Yan pp 10167–10175   DOI: 10.1021/ic401646t   Supporting Info

Hard and Soft Metal Complexes of Calix[4]-bis-monothiacrown-5: X-ray and NMR Studies of Discrete Homodinuclear Complexes and a Heteromultinuclear Network Ja-Yeon Kim, In-Hyeok Park, Jai Young Lee, Joon-Hwa Lee, Ki-Min Park, and Shim Sung Lee pp 10176–10182   DOI: 10.1021/ic401648b   Supporting Info

Four-Electron Oxidative Dehydrogenation Induced by Proton-Coupled Electron Transfer in Ruthenium(III) Complex with 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)phenolate Ryoji Mitsuhashi, Takayoshi Suzuki, and Yukinari Sunatsuki pp 10183–10190   DOI: 10.1021/ic401667v   Supporting Info

Synthesis and Structural Characterization of Hydrolysis Products within the Uranyl Iminodiacetate and Malate Systems Daniel K. Unruh, Kyle Gojdas, Erin Flores, Anna Libo, and Tori Z. Forbes pp 10191–10198   DOI: 10.1021/ic401705j   Supporting Info

Water-Soluble Tb3+ and Eu3+ Complexes with Ionophilic (Ionically Tagged) Ligands as Fluorescence Imaging Probes Julia R. Diniz, José R. Correa, Daniel de A. Moreira, Rafaela S. Fontenele, Aline L. de Oliveira, Patrícia V. Abdelnur, José D. L. Dutra, Ricardo O. Freire, Marcelo O. Rodrigues, and Brenno A. D. Neto pp 10199–10205   DOI: 10.1021/ic4017678   Supporting Info

Effect of Electrostatic and Size on Dopant Occupancy in Lithium Niobate Single Crystal Keyan Li, Congying Kang, and Dongfeng Xue pp 10206–10210   DOI: 10.1021/ic401805x

Extended Ni(III) Oxyhalide Perovskite Derivatives: Sr2NiO3X (X = F, Cl) Yoshihiro Tsujimoto, Kazunari Yamaura, and Tetsuo Uchikoshi pp 10211–10216   DOI: 10.1021/ic402008n

Issue 18

New Class of Phosphine Oxide Donor-Based Supramolecular Coordination Complexes from an in Situ Phosphine Oxidation Reaction or Phosphine Oxide Ligands Bhaskaran Shankar, Palani Elumalai, Ramasamy Shanmugam, Virender Singh, Dhanraj T. Masram, and Malaichamy Sathiyendiran pp 10217–10219   DOI: 10.1021/ic401257w   Supporting Info

Synthesis and Structure of the [(UO2)S4]6– Anion: A Cation-Stabilized Uranyl Sulfide Matthew D. Ward, Jordan M. Klingsporn, and James A. Ibers pp 10220–10222   DOI: 10.1021/ic401382g   Supporting Info

Quantitative Fluorescent Detection of Pyrophosphate with Quinoline-Ligated Dinuclear Zinc Complexes Yuji Mikata, Anna Ugai, Risa Ohnishi, and Hideo Konno pp 10223–10225   DOI: 10.1021/ic401605m   Supporting Info

Synthesis and Structural Characterization of Bis(2-oxoimidazolyl)hydroborato Complexes: A New Class of Bidentate Oxygen-Donor Ligands Ahmed Al-Harbi, Yi Rong, and Gerard Parkin pp 10226–10228   DOI: 10.1021/ic401658n   Supporting Info

Unsymmetrical Bimetallic Complexes with MII–(μ-OH)–MIII Cores (MIIMIII = FeIIFeIII, MnIIFeIII, MnIIMnIII): Structural, Magnetic, and Redox Properties Yohei Sano, Andrew C. Weitz, Joseph W. Ziller, Michael P. Hendrich, and A. S. Borovik pp 10229–10231   DOI: 10.1021/ic401561k   Supporting Info

Hybrid Inorganic–Organic Polyrotaxane, Pseudorotaxane, and Sandwich Li Yu, Mian Li, Xiao-Ping Zhou, and Dan Li pp 10232–10234   DOI: 10.1021/ic401722c   Supporting Info

Molecular Nanoscale Magnetic Refrigerants: A Ferrimagnetic {CuII15GdIII7} Cagelike Cluster from the Use of Pyridine-2,6-dimethanol Despina Dermitzaki, Giulia Lorusso, Catherine P. Raptopoulou, Vassilis Psycharis, Albert Escuer, Marco Evangelisti, Spyros P. Perlepes, and Theocharis C. Stamatatos pp 10235–10237   DOI: 10.1021/ic4020064   Supporting Info

Germanate with Three-Dimensional 12 × 12 × 11-Ring Channels Solved by X-ray Powder Diffraction with Charge-Flipping Algorithm Yan Xu, Leifeng Liu, Daniel M. Chevrier, Junliang Sun, Peng Zhang, and Jihong Yu pp 10238–10244   DOI: 10.1021/ic302705f   Supporting Info

Electrochemical Evidence of Intramolecular Electronic Communication in Zr and Hf Phthalocyanines Bearing Ferrocene-Containing β-Diketonato Axial Ligands: Structure of [PcHf(FcCOCHCOC6H5)2] Blenerhassitt E. Buitendach, Anna Gągor, and Jannie C. Swarts pp 10245–10257   DOI: 10.1021/ic302730v   Supporting Info

Geometry and Temperature Dependence of meso-Aryl Rotation in Strained Metalloporphyrins: Adjustable Turnstile Molecules Zaichun Zhou, Xi Zhang, Qiuhua Liu, Ziqiang Yan, Chengjin Lv, and Ge Long pp 10258–10263   DOI: 10.1021/ic4001208   Supporting Info

Synergy in Photomagnetic/Ferromagnetic Sub-50 nm Core-Multishell Nanoparticles Nada Dia, Laurent Lisnard, Yoann Prado, Alexandre Gloter, Odile Stéphan, François Brisset, Hala Hafez, Zeinab Saad, Corine Mathonière, Laure Catala, and Talal Mallah pp 10264–10274   DOI: 10.1021/ic400303x   Supporting Info

Infrared Spectra of H2ThS and H2US in Noble Gas Matrixes: Enhanced H-An-S Covalent Bonding Xuefeng Wang, Lester Andrews, K. Sahan Thanthiriwatte, and David A. Dixon pp 10275–10285   DOI: 10.1021/ic400560k   Supporting Info

Porous and Robust Lanthanide Metal-Organoboron Frameworks as Water Tolerant Lewis Acid Catalysts Yan Liu, Ke Mo, and Yong Cui pp 10286–10291   DOI: 10.1021/ic400598x   Supporting Info

Charged Bis-Cyclometalated Iridium(III) Complexes with Carbene-Based Ancillary Ligands Filippo Monti, Florian Kessler, Manuel Delgado, Julien Frey, Federico Bazzanini, Gianluca Accorsi, Nicola Armaroli, Henk J. Bolink, Enrique Ortí, Rosario Scopelliti, Md. Khaja Nazeeruddin, and Etienne Baranoff pp 10292–10305   DOI: 10.1021/ic400600d   Supporting Info

Easy Synthesis of High-Purity BiFeO3 Nanoparticles: New Insights Derived from the Structural, Optical, and Magnetic Characterization José Luis Ortiz-Quiñonez, David Díaz, Inti Zumeta-Dubé, Humberto Arriola-Santamaría, Israel Betancourt, Patricia Santiago-Jacinto, and Noel Nava-Etzana pp 10306–10317   DOI: 10.1021/ic400627c   Supporting Info

Hydration Properties and Ionic Radii of Actinide(III) Ions in Aqueous Solution Paola D’Angelo, Fausto Martelli, Riccardo Spezia, Adriano Filipponi, and Melissa A. Denecke pp 10318–10324   DOI: 10.1021/ic400678u   Supporting Info

Development of a Ruthenium(II) Complex-Based Luminescent Probe for Hypochlorous Acid in Living Cells Run Zhang, Zhiqiang Ye, Bo Song, Zhichao Dai, Xin An, and Jingli Yuan pp 10325–10331   DOI: 10.1021/ic400767u   Supporting Info

Tuning Spin–Spin Coupling in Quinonoid-Bridged Dicopper(II) Complexes through Rational Bridge Variation David Schweinfurth, Marat M. Khusniyarov, Denis Bubrin, Stephan Hohloch, Cheng-Yong Su, and Biprajit Sarkar pp 10332–10339   DOI: 10.1021/ic400955c   Supporting Info

Tunable Blue-Green-Emitting Ba3LaNa(PO4)3F:Eu2+,Tb3+ Phosphor with Energy Transfer for Near-UV White LEDs Mengmeng Jiao, Ning Guo, Wei Lü, Yongchao Jia, Wenzhen Lv, Qi Zhao, Baiqi Shao, and Hongpeng You pp 10340–10346   DOI: 10.1021/ic401033u   Supporting Info

Predicting the Stability Constants of Metal-Ion Complexes from First Principles Ondrej Gutten and Lubomír Rulíšek pp 10347–10355   DOI: 10.1021/ic401037x   Supporting Info

Supramolecular β-Cyclodextrin Adducts of Boron-Rich DNA Metallointercalators Containing Dicarba-closo-dodecaborane(12) H. Y. Vincent Ching, Ronald J. Clarke, and Louis M. Rendina pp 10356–10367   DOI: 10.1021/ic401060k   Supporting Info

A Porous Metal–Organic Framework Constructed from Carboxylate–Pyrazolate Shared Heptanuclear Zinc Clusters: Synthesis, Gas Adsorption, and Guest-Dependent Luminescent Properties Qingshu Zheng, Feilong Yang, Mingli Deng, Yun Ling, Xiaofeng Liu, Zhenxia Chen, Yunhua Wang, Linhong Weng, and Yaming Zhou pp 10368–10374   DOI: 10.1021/ic401092j   Supporting Info

Synthesis and Characterization of Nonsubstituted and Substituted Proton-Conducting La6–xWO12–y Janka Seeger, Mariya E. Ivanova, Wilhelm A. Meulenberg, Doris Sebold, Detlev Stöver, Tobias Scherb, Gerhard Schumacher, Sonia Escolástico, Cecilia Solís, and José M. Serra pp 10375–10386   DOI: 10.1021/ic401104m   Supporting Info

Investigating the Electronic Structure of the Atox1 Copper(I) Transfer Mechanism with Density Functional Theory Amanda L. Pitts and Michael B. Hall pp 10387–10393   DOI: 10.1021/ic401106z   Supporting Info

Two-Photon Oxygen Sensing with Quantum Dot-Porphyrin Conjugates Christopher M. Lemon, Elizabeth Karnas, Moungi G. Bawendi, and Daniel G. Nocera pp 10394–10406   DOI: 10.1021/ic4011168   Supporting Info

Triple-Layered Perovskite Niobates CaRNb3O10 (R = La, Sm, Eu, Gd, Dy, Er, Yb, or Y): New Self-Activated Oxides Lin Qin, Donglei Wei, Yanlin Huang, Sun Il Kim, Young Moon Yu, and Hyo Jin Seo pp 10407–10413   DOI: 10.1021/ic401854r

Mn8 Cluster with Ferrocene-1,1′-Dicarboxylate Ligation: Single-Molecule Magnetism with Multiple External Redox Centers Antonio Masello, Khalil A. Abboud, Wolfgang Wernsdorfer, and George Christou pp 10414–10423   DOI: 10.1021/ic4011955   Supporting Info

Pairwise Assembly of Organopalladium(II) Units with Cyanurato(3−) and Trithiocyanurato(3−) Ligands: Formation of Chiral Pd12, Pd10, and Pd9 Cage-Molecules Claire A. Murray, Christine J. Cardin, Barnaby W. Greenland, Andrew Swift, and Howard M. Colquhoun pp 10424–10430   DOI: 10.1021/ic401253q   Supporting Info

Redox Properties of a Mononuclear Copper(II)-Superoxide Complex Tetsuro Tano, Yuri Okubo, Atsushi Kunishita, Minoru Kubo, Hideki Sugimoto, Nobutaka Fujieda, Takashi Ogura, and Shinobu Itoh pp 10431–10437   DOI: 10.1021/ic401261z   Supporting Info

Rich Crystal Chemistry and Magnetism of “114” Stoichiometric LnBaFe4O7.0 Ferrites V. Duffort, V. Caignaert, V. Pralong, A. Cervellino, D. Sheptyakov, and B. Raveau pp 10438–10448   DOI: 10.1021/ic401274p

Facile η5–η1 Ring Slippage of the Cycloolefin Ligands in Osmocene and Bis(η5-indenyl)ruthenium(II) Wai-Man Cheung, Enrique Kwan Huang, Jun Zhu, Xiao-Yi Yi, Herman H. Y. Sung, Ian D. Williams, and Wa-Hung Leung pp 10449–10455   DOI: 10.1021/ic401289k   Supporting Info

Marinite Li2M(SO4)2 (M = Co, Fe, Mn) and Li1Fe(SO4)2: Model Compounds for Super-Super-Exchange Magnetic Interactions Marine Reynaud, Gwenaëlle Rousse, Jean-Noël Chotard, Juan Rodríguez-Carvajal, and Jean-Marie Tarascon pp 10456–10466   DOI: 10.1021/ic401280e   Supporting Info

Synthesis and Ligand Non-Innocence of Thiolate-Ligated (N4S) Iron(II) and Nickel(II) Bis(imino)pyridine Complexes Leland R. Widger, Yunbo Jiang, Maxime A. Siegler, Devesh Kumar, Reza Latifi, Sam P. de Visser, Guy N. L. Jameson, and David P. Goldberg pp 10467–10480   DOI: 10.1021/ic4013558   Supporting Info

Influence of Lattice Interactions on the Jahn–Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2–2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio Charles J. Simmons, Horst Stratemeier, Michael A. Hitchman, and Mark J. Riley pp 10481–10499   DOI: 10.1021/ic401385f   Supporting Info

d→f Energy Transfer in Ir(III)/Eu(III) Dyads: Use of a Naphthyl Spacer as a Spatial and Energetic “Stepping Stone” Daniel Sykes, Simon C. Parker, Igor V. Sazanovich, Andrew Stephenson, Julia A. Weinstein, and Michael D. Ward pp 10500–10511   DOI: 10.1021/ic401410g   Supporting Info

Synthesis, Characterization, Photocatalysis, and Varied Properties of TiO2 Cosubstituted with Nitrogen and Fluorine Nitesh Kumar, Urmimala Maitra, Vinay I. Hegde, Umesh V. Waghmare, A. Sundaresan, and C. N. R. Rao pp 10512–10519   DOI: 10.1021/ic401426q

Phase Transition between Layered Tungstates and Polyoxotungstates in Aqueous Solutions Takayuki Ban, Toshihiro Ito, and Yutaka Ohya pp 10520–10524   DOI: 10.1021/ic4014587   Supporting Info

In Situ Neutron Powder Diffraction of the Formation of SrGa2D2, and Hydrogenation Behavior of YbGa2 and EuGa2 Patrick Wenderoth and Holger Kohlmann pp 10525–10531   DOI: 10.1021/ic401480b

Speciation of Platinum(IV) in Nitric Acid Solutions Danila Vasilchenko, Sergey Tkachev, Iraida Baidina, and Sergey Korenev pp 10532–10541   DOI: 10.1021/ic401499j   Supporting Info

Ferroelectric Mesocrystals of Bismuth Sodium Titanate: Formation Mechanism, Nanostructure, and Application to Piezoelectric Materials Dengwei Hu, Xingang Kong, Kotaro Mori, Yasuhiro Tanaka, Kazunari Shinagawa, and Qi Feng pp 10542–10551   DOI: 10.1021/ic4015256   Supporting Info

Uranium(III) Complexes with Bulky Aryloxide Ligands Featuring Metal–Arene Interactions and Their Reactivity Toward Nitrous Oxide Sebastian M. Franke, Ba L. Tran, Frank W. Heinemann, Wolfgang Hieringer, Daniel J. Mindiola, and Karsten Meyer pp 10552–10558   DOI: 10.1021/ic401532j   Supporting Info

Intramolecular d10–d10 Interactions in a Ni6C(CO)9(AuPPh3)4 Bimetallic Nickel–Gold Carbide Carbonyl Cluster Iacopo Ciabatti, Cristina Femoni, Maria Carmela Iapalucci, Andrea Ienco, Giuliano Longoni, Gabriele Manca, and Stefano Zacchini pp 10559–10565   DOI: 10.1021/ic401540s   Supporting Info

Three New Mixed-Alkali- and Alkaline-Earth-Metal Borates: From 1D Chain to 2D Layer to 3D Framework Han-Qing Wu, Ping Ju, Huan He, Bai-Feng Yang, and Guo-Yu Yang pp 10566–10570   DOI: 10.1021/ic4015465   Supporting Info

Topochemical Cross-Linking of the [Hf2N2] Layers with Sulfur in α-HfNBr Shuai Zhang, Mayumi Yoshikawa, Kei Inumaru, and Shoji Yamanaka pp 10571–10575   DOI: 10.1021/ic401548a

Self-Organization of Zr(IV) Porphyrinoids on Graphene Oxide Surfaces by Axial Metal Coordination Matthew Jurow, Viacheslav Manichev, Cesar Pabon, Brian Hageman, Yuliya Matolina, and Charles Michael Drain pp 10576–10582   DOI: 10.1021/ic401563f   Supporting Info

First Row Transition Metal(II) Thiocyanate Complexes, and Formation of 1-, 2-, and 3-Dimensional Extended Network Structures of M(NCS)2(Solvent)2 (M = Cr, Mn, Co) Composition Endrit Shurdha, Curtis E. Moore, Arnold L. Rheingold, Saul H. Lapidus, Peter W. Stephens, Atta M. Arif, and Joel S. Miller pp 10583–10594   DOI: 10.1021/ic401558f   Supporting Info

Particle on a Boron Disk: Ring Currents and Disk Aromaticity in B202– Truong Ba Tai, Remco W. A. Havenith, Jos L. Teunissen, Ahmet R. Dok, Simon D. Hallaert, Minh Tho Nguyen, and Arnout Ceulemans pp 10595–10600   DOI: 10.1021/ic401596s   Supporting Info

N-Benzyl Substituted N-Heterocyclic Carbene Complexes of Iridium(I): Assessment in Transfer Hydrogenation Catalyst Süleyman Gülcemal, Aytaç Gürhan Gökçe, and Bekir Çetinkaya pp 10601–10609   DOI: 10.1021/ic401626e   Supporting Info

Solid Solutions of Pauli-Paramagnetic CaCu3V4O12 and Antiferromagnetic CaMn3V4O12 Shoubao Zhang, Takashi Saito, Wei-Tin Chen, Masaichiro Mizumaki, and Yuichi Shimakawa pp 10610–10614   DOI: 10.1021/ic401633c   Supporting Info

A Ru(II) Bis-terpyridine-like Complex that Catalyzes Water Oxidation: The Influence of Steric Strain Nattawut Kaveevivitchai, Lars Kohler, Ruifa Zong, Maya El Ojaimi, Nirja Mehta, and Randolph P. Thummel pp 10615–10622   DOI: 10.1021/ic4016383   Supporting Info

Systematic Investigation of Thorium(IV)– and Uranium(IV)–Ligand Bonding in Dithiophosphonate, Thioselenophosphinate, and Diselenophosphonate Complexes Andrew C. Behrle, Charles L. Barnes, Nikolas Kaltsoyannis, and Justin R. Walensky pp 10623–10631   DOI: 10.1021/ic401642a   Supporting Info

Design Criteria for Polyazine Extractants To Separate AnIII from LnIII Charles de Sahb, Lori A. Watson, Janos Nadas, and Benjamin P. Hay pp 10632–10642   DOI: 10.1021/ic401666m   Supporting Info

Dicopper Double-Strand Helicates Held Together by Additional π–π Interactions Massimo Boiocchi, Valentina Brega, Carlo Ciarrocchi, Luigi Fabbrizzi, and Piersandro Pallavicini pp 10643–10652   DOI: 10.1021/ic401684u   Supporting Info

Electronic Spectra of N-Heterocyclic Pentacyanoferrate(II) Complexes in Different Solvents, Studied by Multiconfigurational Perturbation Theory André Luiz Barboza Formiga, Steven Vancoillie, and Kristine Pierloot pp 10653–10663   DOI: 10.1021/ic401704r

Neutral Six-Coordinate and Cationic Five-Coordinate Silicon(IV) Complexes with Two Bidentate Monoanionic N,S-Pyridine-2-thiolato(−) Ligands Johannes A. Baus, Christian Burschka, Rüdiger Bertermann, Célia Fonseca Guerra, F. Matthias Bickelhaupt, and Reinhold Tacke pp 10664–10676   DOI: 10.1021/ic401698a   Supporting Info

Reaction of 13-Vertex Carborane μ-1,2-(CH2)4-1,2-C2B11H11 with Nucleophiles: Linkage Effect on Product Formation Jian Zhang and Zuowei Xie pp 10677–10684   DOI: 10.1021/ic401744h   Supporting Info

New Layered Fluorosulfide SrFBiS2 Hechang Lei, Kefeng Wang, Milinda Abeykoon, Emil S. Bozin, and Cedomir Petrovic pp 10685–10689   DOI: 10.1021/ic4018135   Supporting Info

Syntheses and Characterizations of Linear Triborazanes William C. Ewing, Patrick J. Carroll, and Larry G. Sneddon pp 10690–10697   DOI: 10.1021/ic401844m   Supporting Info

Structure and Magnetic Properties of BiFe1–xCoxO3 and Bi0.9Sm0.1Fe1–xCoxO3 Makoto Kubota, Kengo Oka, Hisato Yabuta, Kaoru Miura, and Masaki Azuma pp 10698–10704   DOI: 10.1021/ic402041p   Supporting Info

Issue 19

Remarkable Effect of Iridium Cyclometalation on the Nonlinear Absorption Properties of a Quadrupolar Imine Ligand Julien Massue, Joanna Olesiak-Banska, Erwann Jeanneau, Christophe Aronica, Katarzyna Matczyszyn, Marek Samoc, Cyrille Monnereau, and Chantal Andraud pp 10705–10707   DOI: 10.1021/ic4012313   Supporting Info

Fabrication and Catalytic Performance of Highly Stable Multifunctional Core–Shell Zeolite Composites Xiaofang Wang, Yuanzheng Cui, Yang Wang, Xiaowei Song, and Jihong Yu pp 10708–10710   DOI: 10.1021/ic401357s   Supporting Info

Unusual Inner C-Alkylation of 2-N-Substituted N-Confused Porphyrin Cobalt Complexes in Toluene and p-Xylene Yu-Cheng Wang, Jyh-Horung Chen, Shin-Shin Wang, and Jo-Yu Tung pp 10711–10713   DOI: 10.1021/ic401507d   Supporting Info

Investigating the Ruthenium Metalation of Proteins: X-ray Structure and Raman Microspectroscopy of the Complex between RNase A and AziRu Alessandro Vergara, Irene Russo Krauss, Daniela Montesarchio, Luigi Paduano, and Antonello Merlino pp 10714–10716   DOI: 10.1021/ic401494v   Supporting Info

Copper-Promoted Cyanation of a Boron Cluster: Synthesis, X-ray Structure, and Reactivity of 12-CN-closo-CHB11H10– Aaron J. Rosenbaum, Douglas H. Juers, and Marcus A. Juhasz pp 10717–10719   DOI: 10.1021/ic4015306   Supporting Info

Design and Synthesis of Two Porous Metal–Organic Frameworks with nbo and agw Topologies Showing High CO2 Adsorption Capacity Zhiqiang Liang, Jingjing Du, Libo Sun, Jin Xu, Ying Mu, Yi Li, Jihong Yu, and Ruren Xu pp 10720–10722   DOI: 10.1021/ic4017189   Supporting Info

Thiocyanate-Free Ruthenium(II) Sensitizer with a Pyrid-2-yltetrazolate Ligand for Dye-Sensitized Solar Cells Claudia Dragonetti, Alessia Colombo, Mirko Magni, Patrizia Mussini, Filippo Nisic, Dominique Roberto, Renato Ugo, Adriana Valore, Arianna Valsecchi, Paolo Salvatori, Maria Grazia Lobello, and Filippo De Angelis pp 10723–10725   DOI: 10.1021/ic401794g   Supporting Info

Quaternary Supertetrahedra-Layered Telluride CsMnInTe3: Why Does This Type of Chalcogenide Tilt? Hua Lin, Jin-Ni Shen, Ling Chen, and Li-Ming Wu pp 10726–10728   DOI: 10.1021/ic4018618   Supporting Info

A Highly Efficient Luminescent Pt2Tl2 Chain with a Short TlI–TlI Interaction Sirous Jamali, Mona M. Ashtiani, Zahra Jamshidi, Elena Lalinde, M. Teresa Moreno, Hamidreza Samouei, Eduardo Escudero-Adán, and Jordi Benet-Buchholz pp 10729–10731   DOI: 10.1021/ic401890t   Supporting Info

A “Strongly” Self-Catenated Metal–Organic Framework with the Highest Topological Density among 3,4-Coordinated Nets Huiqing Ma, Di Sun, Liangliang Zhang, Rongming Wang, Vladislav A. Blatov, Jie Guo, and Daofeng Sun pp 10732–10734   DOI: 10.1021/ic4018757   Supporting Info

In Situ Generation of Functionality in a Reactive Haloalkane-Based Ligand for the Design of New Porous Coordination Polymers Prakash Kanoo, Ryotaro Matsuda, Hiroshi Sato, Liangchun Li, Hyung Joon Jeon, and Susumu Kitagawa pp 10735–10737   DOI: 10.1021/ic401924d   Supporting Info

C–H Activation of 2,4,6-Triphenylphosphinine: Synthesis and Characterization of the First Homoleptic Phosphinine–Iridium(III) Complex fac-[Ir(C^P)3] Leen E. E. Broeckx, Wylliam Delaunay, Camille Latouche, Martin Lutz, Abdou Boucekkine, Muriel Hissler, and Christian Müller pp 10738–10740   DOI: 10.1021/ic401933m   Supporting Info

Highly Efficient Generation of Hydrogen from the Hydrolysis of Silanes Catalyzed by [RhCl(CO)2]2 Mengmeng Yu, Huize Jing, and Xuefeng Fu pp 10741–10743   DOI: 10.1021/ic402022v   Supporting Info

Application of the Rotating Ring-Disc-Electrode Technique to Water Oxidation by Surface-Bound Molecular Catalysts Javier J. Concepcion, Robert A. Binstead, Leila Alibabaei, and Thomas J. Meyer pp 10744–10746   DOI: 10.1021/ic402240t   Supporting Info

Family of Mixed 3d–4f Dimeric 14-Metallacrown-5 Compounds: Syntheses, Structures, and Magnetic Properties Fan Cao, Suna Wang, Dacheng Li, Suyuan Zeng, Meiju Niu, You Song, and Jianmin Dou pp 10747–10755   DOI: 10.1021/ic3025952   Supporting Info

Efficient Near-UV Emitters Based on Cationic Bis-Pincer Iridium(III) Carbene Complexes Noviyan Darmawan, Cheng-Han Yang, Matteo Mauro, Matthieu Raynal, Susanne Heun, Junyou Pan, Herwig Buchholz, Pierre Braunstein, and Luisa De Cola pp 10756–10765   DOI: 10.1021/ic302695q   Supporting Info

The Sulfur Shift: An Activation Mechanism for Periplasmic Nitrate Reductase and Formate Dehydrogenase Nuno M. F. S. A. Cerqueira, Pedro A. Fernandes, Pablo J. Gonzalez, José J. G. Moura, and Maria J. Ramos pp 10766–10772   DOI: 10.1021/ic3028034   Supporting Info

Three-Dimensional {Co3+–Zn2+} and {Co3+–Cd2+} Networks Originated from Carboxylate-rich Building Blocks: Syntheses, Structures, and Heterogeneous Catalysis Girijesh Kumar and Rajeev Gupta pp 10773–10787   DOI: 10.1021/ic400536e   Supporting Info

LuF[SeO3]: The Structural Chameleon of Lanthanoid Fluoride Oxoselenates(IV) Christian Lipp, Robert E. Dinnebier, and Thomas Schleid pp 10788–10794   DOI: 10.1021/ic4006289

Intermolecular Binding Modes in a Novel [1 + 1] Condensation 1H-Pyrazole Azamacrocycle: A Solution and Solid State Study with Evidence for CO2 Fixation Raquel Belda, Javier Pitarch-Jarque, Conxa Soriano, José M. Llinares, Salvador Blasco, Jesús Ferrando-Soria, and Enrique García-España pp 10795–10803   DOI: 10.1021/ic400645t   Supporting Info

Synthesis and Structural Characterization of Group 4 Metal Alkoxide Complexes of N,N,N′,N′-Tetrakis(2-hydroxyethyl)ethylenediamine and Their Use As Initiators in the Ring-Opening Polymerization (ROP) of rac-Lactide under Industrially Relevant Conditions Christopher J. Chuck, Matthew G. Davidson, Gerrit Gobius du Sart, Petya K. Ivanova-Mitseva, Gabriele I. Kociok-Köhn, and Lois B. Manton pp 10804–10811   DOI: 10.1021/ic400667z   Supporting Info

Contribution of Intramolecular NH···O Hydrogen Bonds to Magnesium–Carboxylate Bonds Taka-aki Okamura and Junko Nakagawa pp 10812–10824   DOI: 10.1021/ic400671v   Supporting Info

Highly Sensitive and Selective Rhodamine-Based “Off–On” Reversible Chemosensor for Tin (Sn4+) and Imaging in Living Cells Ajit Kumar Mahapatra, Saikat Kumar Manna, Debasish Mandal, and Chitrangada Das Mukhopadhyay pp 10825–10834   DOI: 10.1021/ic4007026   Supporting Info

Photophysical Studies of Bioconjugated Ruthenium Metal–Ligand Complexes Incorporated in Phospholipid Membrane Bilayers Ayesha Sharmin, Luca Salassa, Edward Rosenberg, J. B. Alexander Ross, Geoffrey Abbott, Labe Black, Michelle Terwilliger, and Robert Brooks pp 10835–10845   DOI: 10.1021/ic400706u   Supporting Info

Heteroleptic (2-Fluoro-3-pyridyl)arylborinic 8-Oxyquinolinates for the Potential Application in Organic Light-Emitting Devices Grzegorz Wesela-Bauman, Paulina Ciećwierz, Krzysztof Durka, Sergiusz Luliński, Janusz Serwatowski, and Krzysztof Woźniak pp 10846–10859   DOI: 10.1021/ic400729t   Supporting Info

Clusters [Co(As3S3)2]2–, [Ni(As3S3)2]2–, and [{Co(en)}6(μ3-S)4(AsS3)4]2– with Co–As or Ni–As Bonds: Solvothermal Syntheses and Characterizations of Thioarsenates Containing Transition-Metal Complexes Chunying Tang, Fang Wang, Wenqing Jiang, Yong Zhang, and Dingxian Jia pp 10860–10868   DOI: 10.1021/ic4007982   Supporting Info

Hybrid Bimetallic Metal–Organic Frameworks: Modulation of the Framework Stability and Ultralarge CO2 Uptake Capacity Xiaokai Song, Minhak Oh, and Myoung Soo Lah pp 10869–10876   DOI: 10.1021/ic400844v

Novel Alkali Earth Borohydride Sr(BH4)2 and Borohydride-Chloride Sr(BH4)Cl D. B. Ravnsbæk, E. A. Nickels, R. Černý, C. H. Olesen, W. I. F. David, P. P. Edwards, Y. Filinchuk, and T. R. Jensen pp 10877–10885   DOI: 10.1021/ic400862s   Supporting Info

Characterization of Complexes of Nucleoside-5′-Phosphorothioate Analogues with Zinc Ions Alon Haim Sayer, Yehudit Itzhakov, Noa Stern, Yael Nadel, and Bilha Fischer pp 10886–10896   DOI: 10.1021/ic400878k   Supporting Info

Reaction of a Copper(II)–Nitrosyl Complex with Hydrogen Peroxide: Phenol Ring Nitration through a Putative Peroxynitrite Intermediate Apurba Kalita, Ramesh C. Deka, and Biplab Mondal pp 10897–10903   DOI: 10.1021/ic400890f   Supporting Info

Complexation Behavior of Eu(III) and Am(III) with CMPO and Ph2CMPO Ligands: Insights from Density Functional Theory Cong-Zhi Wang, Wei-Qun Shi, Jian-Hui Lan, Yu-Liang Zhao, Yue-Zhou Wei, and Zhi-Fang Chai pp 10904–10911   DOI: 10.1021/ic400895d   Supporting Info

Synthesis and Characterization of Heterobimetallic (Pd/B) Nindigo Complexes and Comparisons to Their Homobimetallic (Pd2, B2) Analogues Graeme Nawn, Robert McDonald, and Robin G. Hicks pp 10912–10919   DOI: 10.1021/ic400911k   Supporting Info

Topochemical Reduction of the Ruddlesden–Popper Phases Sr2Fe0.5Ru0.5O4 and Sr3(Fe0.5Ru0.5)2O7 Fabio Denis Romero, Diego Gianolio, Giannantonio Cibin, Paul A. Bingham, Jeanne-Clotilde d’Hollander, Susan D. Forder, and Michael A. Hayward pp 10920–10928   DOI: 10.1021/ic400930y   Supporting Info

Apomyoglobin Sequesters Heme from Heme Bound Aβ Peptides Debajyoti Pramanik, Soumya Mukherjee, and Somdatta Ghosh Dey pp 10929–10935   DOI: 10.1021/ic401771j   Supporting Info

Flavonolate Complexes of MII (M = Mn, Fe, Co, Ni, Cu, and Zn). Structural and Functional Models for the ES (Enzyme–Substrate) Complex of Quercetin 2,3-Dioxygenase Ying-Ji Sun, Qian-Qian Huang, Tetsuro Tano, and Shinobu Itoh pp 10936–10948   DOI: 10.1021/ic400972k   Supporting Info

Photoreduction of CO2 Using [Ru(bpy)2(CO)L]n+ Catalysts in Biphasic Solution/Supercritical CO2 Systems Patrick Voyame, Kathryn E. Toghill, Manuel A. Méndez, and Hubert H. Girault pp 10949–10957   DOI: 10.1021/ic401031j   Supporting Info

Bond Characterization of a Unique Thiathiophthene Derivative: Combined Charge Density Study and X-ray Absorption Spectroscopy Yu-Chun Chuang, Ya-Wen Li, I-Jui Hsu, Gene-Hsiang Lee, and Yu Wang pp 10958–10967   DOI: 10.1021/ic4010455   Supporting Info

Thorium and Uranium Carbide Cluster Cations in the Gas Phase: Similarities and Differences between Thorium and Uranium Cláudia C. L. Pereira, Rémi Maurice, Ana F. Lucena, Shuxian Hu, António P. Gonçalves, Joaquim Marçalo, John K. Gibson, Lester Andrews, and Laura Gagliardi pp 10968–10975   DOI: 10.1021/ic401058b   Supporting Info

Tuning Transverse Anisotropy in CoIII–CoII–CoIII Mixed-Valence Complex toward Slow Magnetic Relaxation Dayu Wu, Xingxing Zhang, Ping Huang, Wei Huang, Mingyue Ruan, and Z. W. Ouyang pp 10976–10982   DOI: 10.1021/ic401057f   Supporting Info

Zinc Coordination Spheres in Protein Structures Mikko Laitaoja, Jarkko Valjakka, and Janne Jänis pp 10983–10991   DOI: 10.1021/ic401072d   Supporting Info

Highly Luminescent Dinuclear Platinum(II) Complexes Incorporating Bis-Cyclometallating Pyrazine-Based Ligands: A Versatile Approach to Efficient Red Phosphors Stacey Culham, Pierre-Henri Lanoë, Victoria L. Whittle, Marcus C. Durrant, J. A. Gareth Williams, and Valery N. Kozhevnikov pp 10992–11003   DOI: 10.1021/ic401131x   Supporting Info

Probing the Electronic Properties of a Trinuclear Molecular Wire Involving Isocyanoferrocene and Iron(II) Phthalocyanine Motifs Victor N. Nemykin, Anatolii A. Purchel, Andrew D. Spaeth, and Mikhail V. Barybin pp 11004–11012   DOI: 10.1021/ic4011423   Supporting Info

Crystal Structure, Phase Transitions, and Magnetic Properties of Iridium Perovskites Sr2MIrO6 (M = Ni, Zn) P. Kayser, M. J. Martínez-Lope, J. A. Alonso, M. Retuerto, M. Croft, A. Ignatov, and M. T. Fernández-Díaz pp 11013–11022   DOI: 10.1021/ic401161d   Supporting Info

Chemical Bond Characterization of a Mixed-Valence Tri-Cobalt Complex, Co3(μ-admtrz)4(μ-OH)2(CN)6·2H2O Lai-Chin Wu, Tsu-Chien Weng, I-Jui Hsu, Yi-Hung Liu, Gene-Hsiang Lee, Jyh-Fu, Lee, and Yu Wang pp 11023–11033   DOI: 10.1021/ic401147b   Supporting Info

Role of Metal Ion in Specific Recognition of Pyrophosphate Ion under Physiological Conditions and Hydrolysis of the Phosphoester Linkage by Alkaline Phosphatase Priyadip Das, Nellore Bhanu Chandar, Shishir Chourey, Hridesh Agarwalla, Bishwajit Ganguly, and Amitava Das pp 11034–11041   DOI: 10.1021/ic401243h   Supporting Info

Tris(β-diketonato) Ru(III) Complexes as Chiral Dopants for Nematic Liquid Crystals: the Effect of the Molecular Structure on the Helical Twisting Power Jun Yoshida, Go Watanabe, Kaori Kakizawa, Yasuhiro Kawabata, and Hidetaka Yuge pp 11042–11050   DOI: 10.1021/ic401240f   Supporting Info

Synthesis of an ST = 7 [Mn3] Mixed-Valence Complex Based on 1,3-Propanediol Ligand Derivatives and Its One-Dimensional Assemblies Jian Huang, Gang Wu, Jiaquan Bai, Yuan Jiang, Guanghua Li, Shilun Qiu, and Rodolphe Clérac pp 11051–11059   DOI: 10.1021/ic401269p   Supporting Info

Non-Innocence of 1,4-Dicyanamidobenzene Bridging Ligands in Dinuclear Ruthenium Complexes. Mohommad M. R. Choudhuri, Wolfgang Kaim, Biprajit Sarkar, and Robert J. Crutchley pp 11060–11066   DOI: 10.1021/ic401316g   Supporting Info

New Monoclinic Phase at the Composition Cu2SnSe3 and Its Thermoelectric Properties Jing Fan, Wilder Carrillo-Cabrera, Lev Akselrud, Iryna Antonyshyn, Lidong Chen, and Yuri Grin pp 11067–11074   DOI: 10.1021/ic401317k   Supporting Info

Zinc(II) Interactions with Brain-Derived Neurotrophic Factor N-Terminal Peptide Fragments: Inorganic Features and Biological Perspectives Alessio Travaglia, Diego La Mendola, Antonio Magrì, Adriana Pietropaolo, Vincenzo G. Nicoletti, Giuseppe Grasso, Gaetano Malgieri, Roberto Fattorusso, Carla Isernia, and Enrico Rizzarelli pp 11075–11083   DOI: 10.1021/ic401318t   Supporting Info

Copper Complexes Relevant to the Catalytic Cycle of Copper Nitrite Reductase: Electrochemical Detection of NO(g) Evolution and Flipping of NO2 Binding Mode upon CuII → CuI Reduction Ram Chandra Maji, Suman Kumar Barman, Suprakash Roy, Sudip K. Chatterjee, Faye L. Bowles, Marilyn M. Olmstead, and Apurba K. Patra pp 11084–11095   DOI: 10.1021/ic401295t   Supporting Info

Structural Diversity due to Amino Alcohol Ligands Leading to Rare μ4-Hydroxo-Bridged Tetranuclear and “Bicapped Cubane” Cores in Copper(II) Complexes: A Theoretical and Experimental Magnetostructural Study Petri Seppälä, Enrique Colacio, Antonio J. Mota, and Reijo Sillanpää pp 11096–11109   DOI: 10.1021/ic401325b   Supporting Info

Au10Mo4Zn89: A Fully Ordered Complex Intermetallic Compound Analyzed by TOPOS Partha P. Jana, Arina A. Pankova, and Sven Lidin pp 11110–11117   DOI: 10.1021/ic4013312   Supporting Info

Room-Temperature Synthesis of Flower-Like BiOX (X═Cl, Br, I) Hierarchical Structures and Their Visible-Light Photocatalytic Activity Lang Chen, Rui Huang, Miao Xiong, Qing Yuan, Jie He, Jing Jia, Meng-Yuan Yao, Sheng-Lian Luo, Chak-Tong Au, and Shuang-Feng Yin pp 11118–11125   DOI: 10.1021/ic401349j   Supporting Info

3d Early Transition Metal Complexes Supported by a New Sterically Demanding Aryloxide Ligand Keith Searles, Ba L. Tran, Maren Pink, Chun-Hsing Chen, and Daniel J. Mindiola pp 11126–11135   DOI: 10.1021/ic401363p   Supporting Info

Sensing Hg(II) in Vitro and in Vivo Using a Benzimidazole Substituted BODIPY Sheri Madhu, Dharmendar Kumar Sharma, Santanu Kumar Basu, Sameer Jadhav, Arindam Chowdhury, and Mangalampalli Ravikanth pp 11136–11145   DOI: 10.1021/ic401365x   Supporting Info

“Click” Star-Shaped and Dendritic PEGylated Gold Nanoparticle-Carborane Assemblies Na Li, Pengxiang Zhao, Lionel Salmon, Jaime Ruiz, Mark Zabawa, Narayan S. Hosmane, and Didier Astruc pp 11146–11155   DOI: 10.1021/ic4013697   Supporting Info

Photochromic Properties of Polyoxotungstates with Grafted Spiropyran Molecules Arnaud Parrot, Guillaume Izzet, Lise-Marie Chamoreau, Anna Proust, Olivier Oms, Anne Dolbecq, Khadija Hakouk, Houda El Bekkachi, Philippe Deniard, Rémi Dessapt, and Pierre Mialane pp 11156–11163   DOI: 10.1021/ic401380a   Supporting Info

Seven-Coordinate Lanthanide Sandwich-Type Complexes with a Tetrathiafulvalene-Fused Schiff Base Ligand Feng Gao, Long Cui, Wei Liu, Liang Hu, Yu-Wu Zhong, Yi-Zhi Li, and Jing-Lin Zuo pp 11164–11172   DOI: 10.1021/ic401421h   Supporting Info

Hyperfine Coupling Constants on Inner-Sphere Water Molecules of a Triazacyclononane-based Mn(II) Complex and Related Systems Relevant as MRI Contrast Agents Véronique Patinec, Gabriele A. Rolla, Mauro Botta, Raphaël Tripier, David Esteban-Gómez, and Carlos Platas-Iglesias pp 11173–11184   DOI: 10.1021/ic4014366   Supporting Info

Effect of N4-Substituent Choice on Spin Crossover in Dinuclear Iron(II) Complexes of Bis-Terdentate 1,2,4-Triazole-Based Ligands Jonathan A. Kitchen, Juan Olguín, Rafal Kulmaczewski, Nicholas G. White, Victoria A. Milway, Guy N. L. Jameson, Jeffery L. Tallon, and Sally Brooker pp 11185–11199   DOI: 10.1021/ic4014416   Supporting Info

Synthesis and Characterization of Molecular Hexagons and Rhomboids and Subsequent Encapsulation of Keggin-Type Polyoxometalates by Molecular Hexagons Kazuhiro Uehara, Takamichi Oishi, Takayuki Hirose, and Noritaka Mizuno pp 11200–11209   DOI: 10.1021/ic401428v   Supporting Info

Wide-Band Excited Y6(WMo)0.5O12:Eu Red Phosphor for White Light Emitting Diode: Structure Evolution, Photoluminescence Properties, and Energy Transfer Mechanisms Involved Huaiyong Li, Hyeon Mi Noh, Byung Kee Moon, Byung Chun Choi, Jung Hyun Jeong, Kiwan Jang, Ho Sueb Lee, and Soung Soo Yi pp 11210–11217   DOI: 10.1021/ic401453e   Supporting Info

Specific Interaction between Uranium Anionic Complexes and the Cations of Bis(trifluoromethylsulfonyl)imide Based Ionic Liquids Céline Cannes, Claire Le Naour, Philippe Moisy, and Philippe Guilbaud pp 11218–11227   DOI: 10.1021/ic4014653   Supporting Info

Synthesis and Electrochemical and Photophysical Properties of Calixarene-Based Ruthenium(II) Complexes as Potential Multivalent Photoreagents Alice Mattiuzzi, Lionel Marcélis, Ivan Jabin, Cécile Moucheron, and Andrée Kirsch-De Mesmaeker pp 11228–11236   DOI: 10.1021/ic401468t   Supporting Info

Tetradihydrobenzoquinonate and Tetrachloranilate Zr(IV) Complexes: Single-Crystal-to-Single-Crystal Phase Transition and Open-Framework Behavior for K4Zr(DBQ)4 Inhar Imaz, Georges Mouchaham, Nans Roques, Stéphane Brandès, and Jean-Pascal Sutter pp 11237–11243   DOI: 10.1021/ic401474f   Supporting Info

Tuning the Electronic and Steric Parameters of a Redox-Active Tris(amido) Ligand Rui F. Munhá, Ryan A. Zarkesh, and Alan F. Heyduk pp 11244–11255   DOI: 10.1021/ic401496w   Supporting Info

Syntheses of Pentanuclear Group 6 Iridium Clusters by Core Expansion of Tetranuclear Clusters with Ir(CO)2(η5-C5Me4R) (R = H, Me) Michael D. Randles, Peter V. Simpson, Vivek Gupta, Junhong Fu, Graeme J. Moxey, Torsten Schwich, Alan L. Criddle, Simon Petrie, Jonathan G. MacLellan, Stuart R. Batten, Robert Stranger, Marie P. Cifuentes, and Mark G. Humphrey pp 11256–11268   DOI: 10.1021/ic401502f   Supporting Info

Cation–Cation Interactions in [(UO2)2(OH)n]4–n Complexes Samuel O. Odoh, Niranjan Govind, Georg Schreckenbach, and Wibe A. de Jong pp 11269–11279   DOI: 10.1021/ic4015338   Supporting Info

Gold(I)-Phosphine-N-Heterocycles: Biological Activity and Specific (Ligand) Interactions on the C-Terminal HIVNCp7 Zinc Finger Camilla Abbehausen, Erica J. Peterson, Raphael E. F. de Paiva, Pedro P. Corbi, André L. B. Formiga, Yun Qu, and Nicholas P. Farrell pp 11280–11287   DOI: 10.1021/ic401535s   Supporting Info

The Solid Solution Series (GeTe)x(LiSbTe2)2 (1 ≤ x ≤ 11) and the Thermoelectric Properties of (GeTe)11(LiSbTe2)2 Thorsten Schröder, Stefan Schwarzmüller, Christian Stiewe, Johannes de Boor, Markus Hölzel, and Oliver Oeckler pp 11288–11294   DOI: 10.1021/ic401516m   Supporting Info

Novel Refractory Phase, Ta7Si2(SixB1–x)2 V. Romaka, V. Fosodeder, P. F. Rogl, É. C. T. Ramos, C. A. Nunes, G. C. Coelho, and G. Giester pp 11295–11301   DOI: 10.1021/ic401413f   Supporting Info

THF Exchange and Molecular Dynamics in the Series (BDI)MgX(THF), Where X = Bun, NEt2, and OBut and BDI = 2-[(2,6-Diisopropylphenyl)amino]-4-[(2,6-diisopropylphenyl)imino]pent-2-ene Malcolm H. Chisholm, Kittisak Choojun, Albert S. Chow, Gideon Fraenkel, and Judith C. Gallucci pp 11302–11310   DOI: 10.1021/ic401559b   Supporting Info

A Novel Diiminopyridine Ligand Containing Redox Active Co(III) Mixed Sandwich Complexes Eleanor Magdzinski, Pierangelo Gobbo, Mark S. Workentin, and Paul J. Ragogna pp 11311–11319   DOI: 10.1021/ic401598e   Supporting Info

Photoactivity of Mono- and Dicarbonyl Complexes of Ruthenium(II) Bearing an N,N,S-Donor Ligand: Role of Ancillary Ligands on the Capacity of CO Photorelease Margarita A. Gonzalez, Samantha J. Carrington, Indranil Chakraborty, Marilyn M. Olmstead, and Pradip K. Mascharak pp 11320–11331   DOI: 10.1021/ic4016004   Supporting Info

Thymines in Single-Stranded Oligonucleotides and G-Quadruplex DNA Are Competitive with Guanines for Binding to an Organoruthenium Anticancer Complex Kui Wu, Suyan Liu, Qun Luo, Wenbing Hu, Xianchan Li, Fuyi Wang, Renhui Zheng, Jie Cui, Peter J. Sadler, Junfeng Xiang, Qiang Shi, and Shaoxiang Xiong pp 11332–11342   DOI: 10.1021/ic401606v   Supporting Info

From Antiferromagnetic to Ferromagnetic Interaction in Cyanido-Bridged Fe(III)–Ru(II)–Fe(III) Complexes by Change of the Central Diamagnetic Cyanido-Metal Geometry Xiao Ma, Sheng-Min Hu, Chun-Hong Tan, Yong-Fan Zhang, Xu-Dong Zhang, Tian-Lu Sheng, and Xin-Tao Wu pp 11343–11350   DOI: 10.1021/ic401604q   Supporting Info

Probing the Oxidation Chemistry of Half-Sandwich Iridium Complexes with Oxygen Atom Transfer Reagents Christopher R. Turlington, Daniel P. Harrison, Peter S. White, Maurice Brookhart, and Joseph L. Templeton pp 11351–11360   DOI: 10.1021/ic4016405   Supporting Info

Probing Heme Vibrational Anisotropy: An Imidazole Orientation Effect? Qian Peng, Ming Li, Chuanjiang Hu, Jeffrey W. Pavlik, Allen G. Oliver, E. Ercan Alp, Michael Y. Hu, Jiyong Zhao, J. Timothy Sage, and W. Robert Scheidt pp 11361–11369   DOI: 10.1021/ic401644g   Supporting Info

Crystalline and Glassy Phases in the Cs/Bi/As/S System Tarun K. Bera, Ratnasabapathy G. Iyer, Christos D. Malliakas, and Mercouri G. Kanatzidis pp 11370–11376   DOI: 10.1021/ic4016542   Supporting Info

Special ∞1[OPb2] Chains and ∞1[O2Pb3] Ribbons Based on OPb4 Anion-Centered Tetrahedra in Pb2(O4Pb8)(BO3)3Br3 and Pb2(O8Pb12)(BO3)2Br6 Lingyun Dong, Shilie Pan, Ying Wang, Hongwei Yu, Xiaoyu Dong, Shujuan Han, and Min Zhang pp 11377–11384   DOI: 10.1021/ic401655h   Supporting Info

Effect of Pillar Modules and Their Stoichiometry in 3D Porous Frameworks of Zn(II) with [Fe(CN)6]3–: High CO2/N2 and CO2/CH4 Selectivity Arpan Hazra, Satyanarayana Bonakala, Sandeep K. Reddy, Sundaram Balasubramanian, and Tapas Kumar Maji pp 11385–11397   DOI: 10.1021/ic401657d   Supporting Info

Addition of Nucleophiles to Phosphanido Derivatives of Pt(III): Formation of P–C, P–N, and P–O Bonds Andersson Arias, Juan Forniés, Consuelo Fortuño, Susana Ibáñez, and Antonio Martín , Piero Mastrorilli, Vito Gallo, and Stefano Todisco pp 11398–11408   DOI: 10.1021/ic401689c   Supporting Info

Reactions of Group 4 Amide Guanidinates with Dioxygen or Water. Studies of the Formation of Oxo Products Bhavna Sharma, Tabitha M. Callaway, Adam C. Lamb, Carlos A. Steren, Shu-Jian Chen, and Zi-Ling Xue pp 11409–11421   DOI: 10.1021/ic4016965   Supporting Info

Functionalized Pentamolybdodiphosphate-Based Inorganic–Organic Hybrids: Synthesis, Structure, and Properties Xiao-Min Li, Ya-Guang Chen, Chunnian Su, Shi Zhou, Qun Tang, and Tian Shi pp 11422–11427   DOI: 10.1021/ic401726a   Supporting Info

Semiconductive and Magnetic One-Dimensional Coordination Polymers of Cu(II) with Modified Nucleobases Pilar Amo-Ochoa, Oscar Castillo, Carlos J. Gómez-García, Khaled Hassanein, Sandeep Verma, Jitendra Kumar, and Félix Zamora pp 11428–11437   DOI: 10.1021/ic401758w   Supporting Info

Synthesis of Zwitterionic Triphosphenium Transition Metal Complexes: A Boron Atom Makes The Difference Jonathan W. Dube, Charles L. B. Macdonald, Bobby D. Ellis, and Paul J. Ragogna pp 11438–11449   DOI: 10.1021/ic401766j   Supporting Info

α-ScVSe2O8, β-ScVSe2O8, and ScVTe2O8: New Quaternary Mixed Metal Oxides Composed of Only Second-Order Jahn–Teller Distortive Cations Yeong Hun Kim, Dong Woo Lee, and Kang Min Ok pp 11450–11456   DOI: 10.1021/ic401769s   Supporting Info

Synthesis of 1,3-Dichloro-cyclo-1,3-diphosphadiazanes from Silylated Amino(dichloro)phosphanes Axel Schulz, Alexander Villinger, and Andrea Westenkirchner pp 11457–11468   DOI: 10.1021/ic4017728   Supporting Info

Ru(0) and Ru(II) Nitrosyl Pincer Complexes: Structure, Reactivity, and Catalytic Activity Eran Fogler, Mark A. Iron, Jing Zhang, Yehoshoa Ben-David, Yael Diskin−Posner, Gregory Leitus, Linda J. W. Shimon, and David Milstein pp 11469–11479   DOI: 10.1021/ic401780p   Supporting Info

Pb(II)-Promoted Amide Cleavage: Mechanistic Comparison to a Zn(II) Analogue Eric S. Elton, Tingting Zhang, Rajeev Prabhakar, Atta M. Arif, and Lisa M. Berreau pp 11480–11492   DOI: 10.1021/ic401782x   Supporting Info

Relationship between Gallium Pyramidalization in L·GaCl3 Complexes and the Electronic Ligand Properties Ahmad El-Hellani, Julien Monot, Shun Tang, Régis Guillot, Christophe Bour, and Vincent Gandon pp 11493–11502   DOI: 10.1021/ic401817g   Supporting Info

Five New Chalcohalides, Ba3GaS4X (X = Cl, Br), Ba3MSe4Cl (M = Ga, In), and Ba7In2Se6F8: Syntheses, Crystal Structures, and Optical Properties Kai Feng, Wenlong Yin, Zuohong Lin, Jiyong Yao, and Yicheng Wu pp 11503–11508   DOI: 10.1021/ic401820a   Supporting Info

Evaluation of the Rh(II)–Rh(II) Bond Dissociation Enthalpy for [(TMTAA)Rh]2 by 1H NMR T2 Measurements: Application in Determining the Rh–C(O)– BDE in [(TMTAA)Rh]2C═O Gregory H. Imler, Michael J. Zdilla, and Bradford B. Wayland pp 11509–11513   DOI: 10.1021/ic401778c   Supporting Info

A Simple and General Method to Determine Reliable Pseudocontact Shifts in Lanthanide Complexes Roberto Berardozzi and Lorenzo Di Bari pp 11514–11518   DOI: 10.1021/ic401825f

Reactivity with Electrophiles of Imido Groups Supported on Trinuclear Titanium Systems Jorge Caballo, Mariano González-Moreiras, Miguel Mena, Adrián Pérez-Redondo, and Carlos Yélamos pp 11519–11529   DOI: 10.1021/ic4018294   Supporting Info

Structural Investigation of the Substituted Pyrochlore AgSbO3 through Total Scattering Techniques Geneva Laurita, Katharine Page, A. W. Sleight, and M. A. Subramanian pp 11530–11537   DOI: 10.1021/ic401860j   Supporting Info

A-Site-Ordered Perovskite MnCu3V4O12 with a 12-Coordinated Manganese(II) Yasuhide Akizuki, Ikuya Yamada, Koji Fujita, Norimasa Nishiyama, Tetuo Irifune, Takeshi Yajima, Hiroshi Kageyama, and Katsuhisa Tanaka pp 11538–11543   DOI: 10.1021/ic401855j   Supporting Info

Chemistry of Reduced Monomeric and Dimeric Cobalt Complexes Supported by a PNP Pincer Ligand Sergio S. Rozenel, Rosa Padilla, and John Arnold pp 11544–11550   DOI: 10.1021/ic4018882   Supporting Info

Explorations of a Series of Second Order Nonlinear Optical Materials Based on Monovalent Metal Gold(III) Iodates Chao Huang, Chun-Li Hu, Xiang Xu, Bing-Ping Yang, and Jiang-Gao Mao pp 11551–11562   DOI: 10.1021/ic401891f   Supporting Info

Chiral Induction at Octahedral Ru(II) via the Disassembly of Diruthenium(II,III) Tetracarboxylates Using a Variety of Chiral Diphosphine Ligands Brandon R. Groves, D. Ian Arbuckle, Ernest Essoun, Travis L. Lundrigan, Ruiyao Wang, and Manuel A. S. Aquino pp 11563–11572   DOI: 10.1021/ic401908t   Supporting Info

Four Coordination Polymers Based on Identical Eight-Connected Heptanuclear Clusters: Spin Canting, Spin Glass, Antiferromagnetism, and Gas Adsorption Jia Li, Bao Li, Peng Huang, Hai-Yan Shi, Rong-Bin Huang, Lan-Sun Zheng, and Jun Tao pp 11573–11579   DOI: 10.1021/ic401912k   Supporting Info

Metastable Interwoven Mesoporous Metal–Organic Frameworks Yabing He, Zhiyong Guo, Shengchang Xiang, Zhangjing Zhang, Wei Zhou, Frank R. Fronczek, Sean Parkin, Stephen T. Hyde, Michael O’Keeffe, and Banglin Chen pp 11580–11584   DOI: 10.1021/ic401870e   Supporting Info

Spin Crossover Meets Diarylethenes: Efficient Photoswitching of Magnetic Properties in Solution at Room Temperature Magdalena Milek, Frank W. Heinemann, and Marat M. Khusniyarov pp 11585–11592   DOI: 10.1021/ic401960x   Supporting Info

Five-Coordinate Silicon(II) Compounds with Si–M Bonds (M = Cr, Mo, W, Fe): Bis[N,N′-diisopropylbenzamidinato(−)]silicon(II) as a Ligand in Transition-Metal Complexes Konstantin Junold, Johannes A. Baus, Christian Burschka, Thomas Vent-Schmidt, Sebastian Riedel, and Reinhold Tacke pp 11593–11599   DOI: 10.1021/ic401954e   Supporting Info

Homoleptic Cerium(III) and Cerium(IV) Nitroxide Complexes: Significant Stabilization of the 4+ Oxidation State Justin A. Bogart, Andrew J. Lewis, Scott A. Medling, Nicholas A. Piro, Patrick J. Carroll, Corwin H. Booth, and Eric J. Schelter pp 11600–11607   DOI: 10.1021/ic401974t   Supporting Info

Mechanistic Studies on the Reaction of Nitroxylcobalamin with Dioxygen: Evidence for Formation of a Peroxynitritocob(III)alamin Intermediate Harishchandra Subedi and Nicola E. Brasch pp 11608–11617   DOI: 10.1021/ic401975f   Supporting Info

Synthesis, Structural Characterization, and Electrochemical Properties of Dinuclear Ni/Mn Model Complexes for the Active Site of [NiFe]-Hydrogenases Li-Cheng Song, Jia-Peng Li, Zhao-Jun Xie, and Hai-Bin Song pp 11618–11626   DOI: 10.1021/ic401978h   Supporting Info

Two-Dimensional Coordination Polymers Constructed by [NiIILnIII] Nodes and [WIV(bpy)(CN)6]2– Spacers: A Network of [NiIIDyIII] Single Molecule Magnets Maria-Gabriela Alexandru, Diana Visinescu, Sergiu Shova, Francesc Lloret, Miguel Julve, and Marius Andruh pp 11627–11637   DOI: 10.1021/ic4019794   Supporting Info

Zinc(II) and Cadmium(II) Monohydroxide Bridged, Dinuclear Metallacycles: A Unique Case of Concerted Double Berry Pseudorotation Daniel L. Reger, Andrea E. Pascui, Perry J. Pellechia, and Mark D. Smith pp 11638–11649   DOI: 10.1021/ic402073d   Supporting Info

Vanadium Bisimide Bonding Investigated by X-ray Crystallography, 51V and 13C Nuclear Magnetic Resonance Spectroscopy, and V L3,2-Edge X-ray Absorption Near-Edge Structure Spectroscopy Henry S. La Pierre, Stefan G. Minasian, Mark Abubekerov, Stosh A. Kozimor, David K. Shuh, Tolek Tyliszczak, John Arnold, Robert G. Bergman, and F. Dean Toste pp 11650–11660   DOI: 10.1021/ic4020543   Supporting Info

Reaction of Diphenylphosphanylacetylene with RB(C6F5)2 Reagents: Evidence for a Remarkable Sequence of Synergistic Frustrated Lewis Pair Addition Reactions Jiangang Yu, Gerald Kehr, Constantin G. Daniliuc, and Gerhard Erker pp 11661–11668   DOI: 10.1021/ic402139g   Supporting Info

Coupling XRD, EXAFS, and 13C NMR to Study the Effect of the Carbon Stoichiometry on the Local Structure of UC1±x U. Carvajal Nuñez, L. Martel, D. Prieur, E. Lopez Honorato, R. Eloirdi, I. Farnan, T. Vitova, and J. Somers pp 11669–11676   DOI: 10.1021/ic402144g

Pressure Induced Crossover between a Ferromagnetic and a Canted Antiferromagnetic State for [Bis(pentamethylcyclopentadienyl)-iron(III)][Tetracyanoethenide], [FeCp2*][TCNE] Jack G. DaSilva, Rodolphe Clérac, and Joel S. Miller pp 11677–11683   DOI: 10.1021/ic4021959   Supporting Info

Issue 20

Oxidation of Biologically Relevant Chalcogenones and Their Cu(I) Complexes: Insight into Selenium and Sulfur Antioxidant Activity Martin M. Kimani, Craig A. Bayse, Bradley S. Stadelman, and Julia L. Brumaghim pp 11685–11687   DOI: 10.1021/ic401366c   Supporting Info

Insertion of Zerovalent Nickel into the N–N Bond of N-Heterocyclic-Carbene-Activated N2O Alexander G. Tskhovrebov, Euro Solari, Rosario Scopelliti, and Kay Severin pp 11688–11690   DOI: 10.1021/ic401524w   Supporting Info

Microwave-Assisted Carbohydrohalogenation of First-Row Transition-Metal Oxides (M = V, Cr, Mn, Fe, Co, Ni, Cu) with the Formation of Element Halides Matthias Berger, Felix Neumeyer, and Norbert Auner pp 11691–11693   DOI: 10.1021/ic401914f   Supporting Info

Enantioselective Recognition and Separation of Racemic 1-Phenylethanol by a Pair of 2D Chiral Coordination Polymers Zi-Jian Li, Jia Yao, Qian Tao, Long Jiang, and Tong-Bu Lu pp 11694–11696   DOI: 10.1021/ic4021367   Supporting Info

Selective Retention of Methanol over Ethanol by a Cyclen-Based Cryptand/Copper(II) Complex Yoichi Habata, Mari Ikeda, Ajay K. Sah, Kanae Noto, and Shunsuke Kuwahara pp 11697–11699   DOI: 10.1021/ic4021417   Supporting Info

Synthesis of New Dipyrido-Annulated N-Heterocyclic Carbenes with Ortho Substituents Shin-ichi Fuku-en, Junki Yamamoto, Mao Minoura, Satoshi Kojima, and Yohsuke Yamamoto pp 11700–11702   DOI: 10.1021/ic402301u   Supporting Info

New Antiferromagnetic Perovskite CaCo3V4O12 Prepared at High-Pressure and High-Temperature Conditions Sergey V. Ovsyannikov, Yury G. Zainulin, Nadezda I. Kadyrova, Alexander P. Tyutyunnik, Anna S. Semenova, Deepa Kasinathan, Alexander A. Tsirlin, Nobuyoshi Miyajima, and Alexander E. Karkin pp 11703–11710   DOI: 10.1021/ic400649h   Supporting Info

Synthesis, Structure, Photophysics, and a DFT Study of Phosphorescent C*NN- and CNN-Coordinated Platinum Complexes Caleb F. Harris, Dileep A. K. Vezzu, Libero Bartolotti, Paul D. Boyle, and Shouquan Huo pp 11711–11722   DOI: 10.1021/ic400732g   Supporting Info

Crystal Growth of New Hexahydroxometallates Using a Hydroflux W. Michael Chance, Daniel E. Bugaris, Athena S. Sefat, and Hans-Conrad zur Loye pp 11723–11733   DOI: 10.1021/ic400910g   Supporting Info

Crystal Structure and Solution Species of Ce(III) and Ce(IV) Formates: From Mononuclear to Hexanuclear Complexes Christoph Hennig, Atsushi Ikeda-Ohno, Werner Kraus, Stephan Weiss, Philip Pattison, Hermann Emerich, Paula M. Abdala, and Andreas C. Scheinost pp 11734–11743   DOI: 10.1021/ic400999j   Supporting Info

Di-, Tri-, and Tetranuclear Nickel(II) Complexes with Oximato Bridges: Magnetism and Catecholase-like Activity of Two Tetranuclear Complexes Possessing Rhombic Topology Lakshmi Kanta Das, Apurba Biswas, Jared S. Kinyon, Naresh S. Dalal, Haidong Zhou, and Ashutosh Ghosh pp 11744–11757   DOI: 10.1021/ic401020m   Supporting Info

Synthesis of Titanate Nanotube–CdS Nanocomposites with Enhanced Visible Light Photocatalytic Activity Zi-Rong Tang, Xia Yin, Yanhui Zhang, and Yi-Jun Xu pp 11758–11766   DOI: 10.1021/ic4010483   Supporting Info

Synthesis, Magnetism, and 57Fe Mössbauer Spectroscopic Study of a Family of [Ln3Fe7] Coordination Clusters (Ln = Gd, Tb, and Er) Ghulam Abbas, Yanhua Lan, Valeriu Mereacre, Gernot Buth, Moulay T. Sougrati, Fernande Grandjean, Gary J. Long, Christopher E. Anson, and Annie K. Powell pp 11767–11777   DOI: 10.1021/ic401011d   Supporting Info

Iron and Manganese Pyridoxal-Based Complexes as Fluorescent Probes for Nitrite and Nitrate Anions in Aqueous Solution Maria Strianese, Stefano Milione, Valerio Bertolasi, and Claudio Pellecchia pp 11778–11786   DOI: 10.1021/ic401055k   Supporting Info

Low-Temperature Nitridation of Manganese and Iron Oxides Using NaNH2 Molten Salt Akira Miura, Takahiro Takei, and Nobuhiro Kumada pp 11787–11791   DOI: 10.1021/ic401951u

Synthesis and Crystal Structure of the Solid Solution Co3(SeO3)3-x(PO3OH)x(H2O) Involving Crystallographic Split Positions of Se4+ and P5+ Iwan Zimmermann and Mats Johnsson pp 11792–11797   DOI: 10.1021/ic401111z   Supporting Info

Magnetic and Spectroscopic Investigation of Thermally and Optically Driven Valence Tautomerism in Thioether-Bridged Dinuclear Cobalt–Dioxolene Complexes Giordano Poneti, Matteo Mannini, Brunetto Cortigiani, Lorenzo Poggini, Lorenzo Sorace, Edwige Otero, Philippe Sainctavit, Roberta Sessoli, and Andrea Dei pp 11798–11805   DOI: 10.1021/ic4011949   Supporting Info

Electronic Structures and Spin Density Distributions of BrO2 and (HO)2BrO Radicals. Mechanisms for Avoidance of Hypervalency and for Spin Delocalization and Spin Polarization Rainer Glaser and Cory Camasta pp 11806–11820   DOI: 10.1021/ic4011967   Supporting Info

Magnesium and Calcium Complexes Containing Biphenyl-Based Tridentate Iminophenolate Ligands for Ring-Opening Polymerization of rac-Lactide Wei Yi and Haiyan Ma pp 11821–11835   DOI: 10.1021/ic4012668   Supporting Info

Ba13Si6Sn8As22: A Quaternary Zintl Phase Containing Adamantane-Like [Si4As10] Clusters Xiao-Cun Liu, Na Lin, Jian Wang, Ming-Yan Pan, Xian Zhao, Xu-Tang Tao, and Sheng-Qing Xia pp 11836–11842   DOI: 10.1021/ic402023z   Supporting Info

More on Diphosphadithiatetrazocines and the Importance of Being Bonded Heiko Jacobsen pp 11843–11849   DOI: 10.1021/ic401383k   Supporting Info

Synthesis and Characterization of MnCrO4, a New Mixed-Valence Antiferromagnet Vladimir B. Nalbandyan, Elena A. Zvereva, Galina E. Yalovega, Igor L. Shukaev, Anastasiya P. Ryzhakova, Alexander A. Guda, Alessandro Stroppa, Silvia Picozzi, Alexander N. Vasiliev, and Myung-Hwan Whangbo pp 11850–11858   DOI: 10.1021/ic401391b   Supporting Info

Radical-Based Epoxide Opening by Titanocenes Asli Cangönül, Maike Behlendorf, Andreas Gansäuer, and Maurice van Gastel pp 11859–11866   DOI: 10.1021/ic401403a   Supporting Info

Coordination Equilibria Between Seven- and Five-coordinate Iron(II) Complexes Michaela Grau, Jason England, Rafael Torres Martin de Rosales, Henry S. Rzepa, Andrew J. P. White, and George J. P. Britovsek pp 11867–11874   DOI: 10.1021/ic401416h   Supporting Info

Thallium Mercury Chalcobromides, TlHg6Q4Br5 (Q = S, Se) Arief C. Wibowo, Christos D. Malliakas, Duck Young Chung, Jino Im, Arthur J. Freeman, and Mercouri G. Kanatzidis pp 11875–11880   DOI: 10.1021/ic4014174   Supporting Info

Peri-Substituted (Ace)Naphthylphosphinoboranes. (Frustrated) Lewis Pairs Jens Beckmann, Emanuel Hupf, Enno Lork, and Stefan Mebs pp 11881–11888   DOI: 10.1021/ic401406k   Supporting Info

Weak Ferromagnetic Transition with a Dielectric Anomaly in Hexagonal Lu0.5Sc0.5FeO3 Atsunobu Masuno, Atsushi Ishimoto, Chikako Moriyoshi, Naoaki Hayashi, Hitoshi Kawaji, Yoshihiro Kuroiwa, and Hiroyuki Inoue pp 11889–11894   DOI: 10.1021/ic401482h

Temperature Initiated P-Polymerization in Solid [Cd3Cu]CuP10 Melanie Bawohl, Peer Schmidt, and Tom Nilges pp 11895–11901   DOI: 10.1021/ic401508n   Supporting Info

Red-Light-Driven Photocatalytic Reduction of CO2 using Os(II)–Re(I) Supramolecular Complexes Yusuke Tamaki, Kazuhide Koike, Tatsuki Morimoto, Yasuomi Yamazaki, and Osamu Ishitani pp 11902–11909   DOI: 10.1021/ic4015543

Photocatalytic Reduction of Artificial and Natural Nucleotide Co-factors with a Chlorophyll-Like Tin-Dihydroporphyrin Sensitizer Kerstin T. Oppelt, Eva Wöß, Martin Stiftinger, Wolfgang Schöfberger, Wolfgang Buchberger, and Günther Knör pp 11910–11922   DOI: 10.1021/ic401611v   Supporting Info

Kinetic and Electrochemical Studies of the Oxidative Addition of Demanding Organic Halides to Pd(0): the Efficiency of Polyphosphane Ligands in Low Palladium Loading Cross-Couplings Decrypted Veronika A. Zinovyeva, Sophal Mom, Sophie Fournier, Charles H. Devillers, Hélène Cattey, Henri Doucet, Jean-Cyrille Hierso, and Dominique Lucas pp 11923–11933   DOI: 10.1021/ic401613w   Supporting Info

Cubane-Type CuII4 and MnII2MnIII2 Complexes Based on Pyridoxine: A Versatile Ligand for Metal Assembling Nadia Marino, Donatella Armentano, Teresa F. Mastropietro, Miguel Julve, Giovanni De Munno, and José Martínez-Lillo pp 11934–11943   DOI: 10.1021/ic4016355   Supporting Info

Molecular Dyads of Ruthenium(II)– or Osmium(II)–Bis(terpyridine) Chromophores and Expanded Pyridinium Acceptors: Equilibration between MLCT and Charge-Separated Excited States Jérôme Fortage, Grégory Dupeyre, Fabien Tuyèras, Valérie Marvaud, Philippe Ochsenbein, Ilaria Ciofini, Magdaléna Hromadová, Lubomír Pospísil, Antonino Arrigo, Emanuela Trovato, Fausto Puntoriero, Philippe P. Lainé, and Sebastiano Campagna pp 11944–11955   DOI: 10.1021/ic401639g   Supporting Info

Tetranuclear Lanthanide (III) Complexes Containing Dimeric Subunits: Single-Molecule Magnet Behavior for the Dy4 Analogue Vadapalli Chandrasekhar, Sourav Das, Atanu Dey, Sakiat Hossain, and Jean-Pascal Sutter pp 11956–11965   DOI: 10.1021/ic401652f   Supporting Info

Magnetic Structures of LiMBO3 (M = Mn, Fe, Co) Lithiated Transition Metal Borates Liang Tao, James R. Neilson, Brent C. Melot, Tyrel M. McQueen, Christian Masquelier, and Gwenaëlle Rousse pp 11966–11974   DOI: 10.1021/ic401671m   Supporting Info

Interaction of Insulin-Enhancing Vanadium Compounds with Human Serum holo-Transferrin Daniele Sanna, Giovanni Micera, and Eugenio Garribba pp 11975–11985   DOI: 10.1021/ic401716x

Voltammetric Determination of the Reversible Potentials for [{Ru4O4(OH)2(H2O)4}(γ-SiW10O36)2]10– over the pH Range of 2–12: Electrolyte Dependence and Implications for Water Oxidation Catalysis Yuping Liu, Si-Xuan Guo, Alan M. Bond, and Jie Zhang , Yurii V. Geletii and Craig L. Hill pp 11986–11996   DOI: 10.1021/ic401748y   Supporting Info

[3:1] Site-Differentiated [4Fe–4S] Clusters Having One Carboxylate and Three Thiolates Tamaki Terada, Kiyohisa Hirabayashi, Dong Liu, Tomohiko Nakamura, Takuya Wakimoto, Tsuyoshi Matsumoto, and Kazuyuki Tatsumi pp 11997–12004   DOI: 10.1021/ic4017596   Supporting Info

High-Pressure Synthesis, Crystal Structures, and Properties of ScRhO3 and InRhO3 Perovskites Alexei A. Belik, Yoshitaka Matsushita, Masahiko Tanaka, and Eiji Takayama-Muromachi pp 12005–12011   DOI: 10.1021/ic401760m   Supporting Info

New Multi-Ferrocenyl- and Multi-Ferricenyl- Materials via Coordination-Driven Self-Assembly and via Charge-Driven Electro-Crystallization Hakikulla H. Shah, Rayya A. Al-Balushi, Mohammed K. Al-Suti, Muhammad S. Khan, Christopher H. Woodall, Anna L. Sudlow, Paul R. Raithby, Gabriele Kociok-Köhn, Kieran C. Molloy, and Frank Marken pp 12012–12022   DOI: 10.1021/ic401803p   Supporting Info

Monomerizing Alkali-Metal 3,5-Dimethylbenzyl Salts with Tris(N, N-dimethyl-2-aminoethyl)amine (Me6TREN): Structural and Bonding Implications David R. Armstrong, Matthew G. Davidson, Daniel Garcia-Vivo, Alan R. Kennedy, Robert E. Mulvey, and Stuart D. Robertson pp 12023–12032   DOI: 10.1021/ic401777x   Supporting Info

Luminescent Tris(8-hydroxyquinolates) of Bismuth(III) Pauline J. Han, Arnold L. Rheingold, and William C. Trogler pp 12033–12045   DOI: 10.1021/ic401850v   Supporting Info

Nitric Oxide Interaction with Oxy–Coboglobin Models Containing trans-Pyridine Ligand: Two Reaction Pathways Tigran S. Kurtikyan, Shahane R. Eksuzyan, John A. Goodwin, and Gohar Sh. Hovhannisyan pp 12046–12056   DOI: 10.1021/ic4018689   Supporting Info

The Flexible Ba7UM2S12.5O0.5 (M = V, Fe) Compounds: Syntheses, Structures and Spectroscopic, Resistivity, and Electronic Properties Adel Mesbah, Wojciech Stojko, Christos D. Malliakas, Sébastien Lebègue, Nicolas Clavier, and James A. Ibers pp 12057–12063   DOI: 10.1021/ic401871x   Supporting Info

A 3D Iron(II)-Based MOF with Squashed Cuboctahedral Nanoscopic Cages Showing Spin-Canted Long-Range Antiferromagnetic Ordering Soumyabrata Goswami, Amit Adhikary, Himanshu Sekhar Jena, Soumava Biswas, and Sanjit Konar pp 12064–12069   DOI: 10.1021/ic401886f   Supporting Info

A MnII6MnIII6 Single-Strand Molecular Wheel with a Reuleaux Triangular Topology: Synthesis, Structure, Magnetism, and DFT Studies Sotiris Zartilas, Constantina Papatriantafyllopoulou, Theocharis C. Stamatatos, Vassilios Nastopoulos, Eduard Cremades, Eliseo Ruiz, George Christou, Christos Lampropoulos, and Anastasios J. Tasiopoulos pp 12070–12079   DOI: 10.1021/ic401872c   Supporting Info

Formation and Base Hydrolysis of Oxidimethaneamine Bridges in CoIII–Amine Complexes Bernd Morgenstern, Christian Neis, Anton Zaschka, Jens Romba, Thomas Weyhermüller, and Kaspar Hegetschweiler pp 12080–12097   DOI: 10.1021/ic4019053   Supporting Info

Density Functional Theory Mechanistic Study of the Reduction of CO2 to CH4 Catalyzed by an Ammonium Hydridoborate Ion Pair: CO2 Activation via Formation of a Formic Acid Entity Mingwei Wen, Fang Huang, Gang Lu, and Zhi-Xiang Wang pp 12098–12107   DOI: 10.1021/ic401920b   Supporting Info

POP-Pincer Silyl Complexes of Group 9: Rhodium versus Iridium Miguel A. Esteruelas, Montserrat Oliván, and Andrea Vélez pp 12108–12119   DOI: 10.1021/ic401931y   Supporting Info

New Cationic and Neutral Ru(II)- and Os(II)-dmso carbonyl Compounds Ioannis Bratsos, Simone Calmo, Ennio Zangrando, Gabriele Balducci, and Enzo Alessio pp 12120–12130   DOI: 10.1021/ic401940z   Supporting Info

Synthesis, Crystal Structure, and Proton Conductivity of One-Dimensional, Two-Dimensional, and Three-Dimensional Zirconium Phosphonates Based on Glyphosate and Glyphosine Marco Taddei, Anna Donnadio, Ferdinando Costantino, Riccardo Vivani, and Mario Casciola pp 12131–12139   DOI: 10.1021/ic4019597   Supporting Info

Heteroleptic Copper(I) Complexes Prepared from Phenanthroline and Bis-Phosphine Ligands Adrien Kaeser, Meera Mohankumar, John Mohanraj, Filippo Monti, Michel Holler, Juan-José Cid, Omar Moudam, Iwona Nierengarten, Lydia Karmazin-Brelot, Carine Duhayon, Béatrice Delavaux-Nicot, Nicola Armaroli, and Jean-François Nierengarten pp 12140–12151   DOI: 10.1021/ic4020042   Supporting Info

Synthesis, Spectroscopic Characterization, and Determination of the Solution Association Energy of the Dimer [Co{N(SiMe3)2}2]2: Magnetic Studies of Low-Coordinate Co(II) Silylamides [Co{N(SiMe3)2}2L] (L = PMe3, Pyridine, and THF) and Related Species That Reveal Evidence of Very Large Zero-Field Splittings Aimee M. Bryan, Gary J. Long, Fernande Grandjean, and Philip P. Power pp 12152–12160   DOI: 10.1021/ic402019w   Supporting Info

Structures and Magnetism of the Rare-Earth Orthochromite Perovskite Solid Solution LaxSm1–xCrO3 Luke M. Daniels, Mads. C. Weber, Martin R. Lees, Mael Guennou, Reza J. Kashtiban, Jeremy Sloan, Jens Kreisel, and Richard I. Walton pp 12161–12169   DOI: 10.1021/ic402029u   Supporting Info

Tris(phosphinoamide)-Supported Uranium–Cobalt Heterobimetallic Complexes Featuring Co → U Dative Interactions J. Wesley Napoline, Steven J. Kraft, Ellen M. Matson, Phillip E. Fanwick, Suzanne C. Bart, and Christine M. Thomas pp 12170–12177   DOI: 10.1021/ic402343q   Supporting Info

Correction to Gadolinium Acetylacetonate Tetraphenyl Monoporphyrinate Complex and Some of Its Derivatives: EXAFS Study and Molecular Dynamics Simulation J. H. Agondanou, I. Nicolis, E. Curis, J. Purans, G. A. Spyroulias, A. G. Coutsolelos, and S. Bénazeth pp 12178–12178   DOI: 10.1021/ic4023807   Supporting Info

Correction to Highly Reduced Double-Decker Single-Molecule Magnets Exhibiting Slow Magnetic Relaxation Mathieu Gonidec, Itana Krivokapic, Jose Vidal-Gancedo, E. Stephen Davies, Jonathan McMaster, Sergiu M. Gorun, and Jaume Veciana pp 12179–12179   DOI: 10.1021/ic402413t

Issue 21

Preface for the Forum on Metals in Medicine and Health: New Opportunities and Approaches to Improving Health Debbie C. Crans and Thomas J. Meade pp 12181–12183   DOI: 10.1021/ic402341n

Recent Developments in Texaphyrin Chemistry and Drug Discovery Christian Preihs, Jonathan F. Arambula, Darren Magda, Heeyeong Jeong, Dongwon Yoo, Jinwoo Cheon, Zahid H. Siddik, and Jonathan L. Sessler pp 12184–12192   DOI: 10.1021/ic400226g

Role of Metal Ions in the Self-assembly of the Alzheimer’s Amyloid-β Peptide Peter Faller, Christelle Hureau, and Olivia Berthoumieu pp 12193–12206   DOI: 10.1021/ic4003059

Metalloprotein–Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal–Ligand Interactions in a Metalloprotein Active Site David P. Martin, Zachary S. Hann, and Seth M. Cohen pp 12207–12215   DOI: 10.1021/ic400295f   Supporting Info

Imaging DNA with Fluorochrome Bearing Metals Hoonsung Cho, Yanyan Guo, David E. Sosnovik, and Lee Josephson pp 12216–12222   DOI: 10.1021/ic400404g

Ferritin: The Protein Nanocage and Iron Biomineral in Health and in Disease Elizabeth C. Theil pp 12223–12233   DOI: 10.1021/ic400484n

Monofunctional and Higher-Valent Platinum Anticancer Agents Timothy C. Johnstone, Justin J. Wilson, and Stephen J. Lippard pp 12234–12249   DOI: 10.1021/ic400538c   Supporting Info

Structural Optimization of Zn(II)-Activated Magnetic Resonance Imaging Probes Lauren M. Matosziuk, Jonathan H. Leibowitz, Marie C. Heffern, Keith W. MacRenaris, Mark A. Ratner, and Thomas J. Meade pp 12250–12261   DOI: 10.1021/ic400681j   Supporting Info

Metal Speciation in Health and Medicine Represented by Iron and Vanadium Debbie C. Crans, Kellie A. Woll, Kestutis Prusinskas, Michael D. Johnson, and Eugenijus Norkus pp 12262–12275   DOI: 10.1021/ic4007873

Next-Generation Metal Anticancer Complexes: Multitargeting via Redox Modulation Isolda Romero-Canelón and Peter J. Sadler pp 12276–12291   DOI: 10.1021/ic400835n   Supporting Info

Anticancer Activity of Small-Molecule and Nanoparticulate Arsenic(III) Complexes Elden P. Swindell, Patrick L. Hankins, Haimei Chen, Đenana U. Miodragović, and Thomas V. O’Halloran pp 12292–12304   DOI: 10.1021/ic401211u

Unusual C–S Bond Cleavage in Hydro(solvo)thermal Reaction That Induces Two Novel Nickel Thiolates: The Crown [Ni16(edt)8S9(S2)]4– with an Unprecedented 12-Membered Ring System and the Cagelike [Ni13(edt)8S4(S2)2]2– with Two Distorted Cores Hao Jiang, Tianlu Sheng, Songyan Bai, Shengmin Hu, Xin Wang, Ruibiao Fu, Peng Yu, and Xintao Wu pp 12305–12307   DOI: 10.1021/ic400824f   Supporting Info

Observation of Room Temperature B–Cl Activation of the HCB11Cl11– Anion and Isolation of a Stable Anionic Carboranyl Phosphazide Allen L. Chan, Javier Fajardo, Jr., James H. Wright, II, Matthew Asay, and Vincent Lavallo pp 12308–12310   DOI: 10.1021/ic402436w   Supporting Info

Measurement of the Md3+/Md2+ Reduction Potential Studied with Flow Electrolytic Chromatography Atsushi Toyoshima, Zijie Li, Masato Asai, Nozomi Sato, Tetsuya K. Sato, Takahiro Kikuchi, Yusuke Kaneya, Yoshihiro Kitatsuji, Kazuaki Tsukada, Yuichiro Nagame, Matthias Schädel, Kazuhiro Ooe, Yoshitaka Kasamatsu, Atsushi Shinohara, Hiromitsu Haba, and Julia Even pp 12311–12313   DOI: 10.1021/ic401571h   Supporting Info

Smart “Lanthano” Proteins for Phospholipid Sensing Shafali Gupta, Samsuzzoha Mondal, Amit Mhamane, and Ankona Datta pp 12314–12316   DOI: 10.1021/ic4018932   Supporting Info

Mixed-Valent Neptunium(IV/V) Compound with Cation–Cation-Bound Six-Membered Neptunyl Rings Geng Bang Jin pp 12317–12319   DOI: 10.1021/ic4021492   Supporting Info

Dimeric and Tetrameric Supramolecular Aggregates of Single-Molecule Magnets via Carboxylate Substitution Andrew M. Mowson, Tu N. Nguyen, Khalil A. Abboud, and George Christou pp 12320–12322   DOI: 10.1021/ic402155h   Supporting Info

An Intensely Luminescent Metal–Organic Framework Based on a Highly Light-Harvesting Dyclo-Metalated Iridium(III) Unit Showing Effective Detection of Explosives Lina Li, Shuquan Zhang, Liangjin Xu, Liang Han, Zhong-Ning Chen, and Junhua Luo pp 12323–12325   DOI: 10.1021/ic402158n   Supporting Info

Unprecedented Nitronyl Nitroxide Bridged 3d–4f Complexes: Structure and Magnetic Properties Mei Zhu, Yun-Gai Li, Yue Ma, Li-Cun Li, and Dai-Zheng Liao pp 12326–12328   DOI: 10.1021/ic402241f   Supporting Info

Noninnocent Behavior of Bidentate Amidophosphido [NP]2– Ligands upon Coordination to Copper Mark W. Bezpalko, Bruce M. Foxman, and Christine M. Thomas pp 12329–12331   DOI: 10.1021/ic402257z   Supporting Info

Directed Formation of a Ferrocenyl-Decorated Organotin Sulfide Complex and Its Controlled Degradation Zhiliang You and Stefanie Dehnen pp 12332–12334   DOI: 10.1021/ic4022992   Supporting Info

Reductive Coupling of Azides Mediated by an Iron(II) Bis(alkoxide) Complex James A. Bellow, Philip D. Martin, Richard L. Lord, and Stanislav Groysman pp 12335–12337   DOI: 10.1021/ic402517m   Supporting Info

Photophysical Properties of Substituted Homoleptic and Heteroleptic Phenylimidazolinato Ir(III) Complexes as a Blue Phosphorescent Material Takashi Karatsu, Masatomo Takahashi, Shiki Yagai, and Akihide Kitamura pp 12338–12350   DOI: 10.1021/ic400950u   Supporting Info

Synthesis, Spectral, and Structural Studies of Porphyrins Having Sterically Hindered [η5-CpCo(η4-C4Ph4)] Cobalt Sandwich Units at the Meso Positions Karunesh Keshav, Dheeraj Kumar, and Anil J. Elias pp 12351–12366   DOI: 10.1021/ic401099c   Supporting Info

Mild Solvothermal Syntheses of Thioargentates A–Ag–S (A = K, Rb, Cs) and A–Ag–Ge–S (A = Na, Rb): Crucial Role of Excess Sulfur Chi Zhang, Kai-Ni Wang, Min Ji, and Yong-Lin An pp 12367–12371   DOI: 10.1021/ic402092r   Supporting Info

Solid State Complex Chemistry: Formation, Structure, and Properties of Homoleptic Tetracyanamidogermanates RbRE[Ge(CN2)4] (RE = La, Pr, Nd, Gd) Markus Kalmutzki, David Enseling, John E. C. Wren, Scott Kroeker, Victor V. Terskikh, Thomas Jüstel, and H.-Jürgen Meyer pp 12372–12382   DOI: 10.1021/ic401201w   Supporting Info

Synthesis and Structural Characterization of a Series of MnIIIOR Complexes, Including a Water-Soluble MnIIIOH That Promotes Aerobic Hydrogen-Atom Transfer Michael K. Coggins, Lisa M. Brines, and Julie A. Kovacs pp 12383–12393   DOI: 10.1021/ic401234t   Supporting Info

Synthesis, Structures, and Properties of Uranyl Hybrids Constructed by a Variety of Mono- and Polycarboxylic Acids Weiting Yang, Song Dang, Hao Wang, Tao Tian, Qing-Jiang Pan, and Zhong-Ming Sun pp 12394–12402   DOI: 10.1021/ic4012444   Supporting Info

Photophysical Properties of Cyclometalated Pt(II) Complexes: Counterintuitive Blue Shift in Emission with an Expanded Ligand π System Alberto Bossi, Andreas F. Rausch, Markus J. Leitl, Rafał Czerwieniec, Matthew T. Whited, Peter I. Djurovich, Hartmut Yersin, and Mark E. Thompson pp 12403–12415   DOI: 10.1021/ic4011532   Supporting Info

Palladium-Catalyzed Direct Arylation of Luminescent Bis-Cyclometalated Iridium(III) Complexes Incorporating C^N- or O^O-Coordinating Thiophene-Based Ligands: an Efficient Method for Color Tuning Kassem Beydoun, Moussa Zaarour, J. A. Gareth Williams, Thierry Roisnel, Vincent Dorcet, Aurélien Planchat, Abdou Boucekkine, Denis Jacquemin, Henri Doucet, and Véronique Guerchais pp 12416–12428   DOI: 10.1021/ic401208p   Supporting Info

Alkaline Earth Complexes of Silylated Aminopyridinato Ligands: Homoleptic Compounds and Heterobimetallic Coordination Polymers Fabrizio Ortu, Graeme J. Moxey, Alexander J. Blake, William Lewis, and Deborah L. Kays pp 12429–12439   DOI: 10.1021/ic4012923   Supporting Info

Synthesis, Characterization, and Anticancer Activity of a Series of Ketone-N4-Substituted Thiosemicarbazones and Their Ruthenium(II) Arene Complexes Wei Su, Quanquan Qian, Peiyuan Li, Xiaolin Lei, Qi Xiao, Shan Huang, Chusheng Huang, and Jianguo Cui pp 12440–12449   DOI: 10.1021/ic401362s   Supporting Info

Anion and Solvent Induced Chirality Inversion in Macrocyclic Lanthanide Complexes Aleksandra Gerus, Katarzyna Ślepokura, and Jerzy Lisowski pp 12450–12460   DOI: 10.1021/ic401437r   Supporting Info

Complex 5d Magnetism in a Novel S = 1/2 Trimer System, the 12L Hexagonal Perovskite Ba4BiIr3O12 Wojciech Miiller, Matthew T. Dunstan, Zixin Huang, Zakiah Mohamed, Brendan J. Kennedy, Maxim Avdeev, and Chris D. Ling pp 12461–12467   DOI: 10.1021/ic4014619   Supporting Info

Studies of Iron(III) Porphyrinates Containing Silanethiolate Ligands Daniel J. Meininger, Jonathan D. Caranto, Hadi D. Arman, and Zachary J. Tonzetich pp 12468–12476   DOI: 10.1021/ic401467k   Supporting Info

Alkynyl Complexes of High-Valence Clusters. Synthesis and Luminescence Properties of [Mo6I8(C≡CC(O)OMe)6]2–, the First Complex with Exclusively Organometallic Outer Ligands in the Family of Octahedral {M6X8} Clusters Maxim N. Sokolov, Maxim A. Mikhailov, Konstantin A. Brylev, Alexander V. Virovets, Cristian Vicent, Nikolay B. Kompankov, Noboru Kitamura, and Vladimir P. Fedin pp 12477–12481   DOI: 10.1021/ic401377g   Supporting Info

Polar and Magnetic Layered A-Site and Rock Salt B-Site-Ordered NaLnFeWO6 (Ln = La, Nd) Perovskites M. Retuerto, M. R. Li, A. Ignatov, M. Croft, K. V. Ramanujachary, S. Chi, J. P. Hodges, W. Dachraoui, J. Hadermann, T. Thao Tran, P. Shiv Halasyamani, C. P. Grams, J. Hemberger, and M. Greenblatt pp 12482–12491   DOI: 10.1021/ic401491y

Synthesis of Phosphonic Acid Derivatized Bipyridine Ligands and Their Ruthenium Complexes Michael R. Norris, Javier J. Concepcion, Christopher R. K. Glasson, Zhen Fang, Alexander M. Lapides, Dennis L. Ashford, Joseph L. Templeton, and Thomas J. Meyer pp 12492–12501   DOI: 10.1021/ic4014976   Supporting Info

Polyclusters and Substitution Effects in the Na–Au–Ga System: Remarkable Sodium Bonding Characteristics in Polar Intermetallics Volodymyr Smetana, Gordon J. Miller, and John D. Corbett pp 12502–12510   DOI: 10.1021/ic401580y   Supporting Info

Modulating Stepwise Photochromism in Platinum(II) Complexes with Dual Dithienylethene–Acetylides by a Progressive Red Shift of Ring-Closure Absorption Bin Li, Hui-Min Wen, Jin-Yun Wang, Lin-Xi Shi, and Zhong-Ning Chen pp 12511–12520   DOI: 10.1021/ic401581q   Supporting Info

New Supramolecular AuI–CuI Complex as Potential Luminescent Label for Proteins D. V. Krupenya, P. A. Snegurov, E. V. Grachova, V. V. Gurzhiy, and S. P. Tunik , A. S. Melnikov and P. Yu. Serdobintsev , E. G. Vlakh, E. S. Sinitsyna, and T. B. Tennikova pp 12521–12528   DOI: 10.1021/ic401569n   Supporting Info

Electronic Structures and Magnetism of SrFeO2 under Pressure: A First-Principles Study Mavlanjan Rahman, Yao-zhuang Nie, and Guang-hua Guo pp 12529–12534   DOI: 10.1021/ic401615r

Water-Soluble Co(III) Complexes of Substituted Phenanthrolines with Cell Selective Anticancer Activity Sivaraman Jagadeesan, Vimalkumar Balasubramanian, Patric Baumann, Markus Neuburger, Daniel Häussinger, and Cornelia G. Palivan pp 12535–12544   DOI: 10.1021/ic4016228   Supporting Info

tert-Butyl Hydroperoxide Oxygenation of Organic Sulfides Catalyzed by Diruthenium(II,III) Tetracarboxylates Leslie Villalobos, Julia E. Barker Paredes, Zhi Cao, and Tong Ren pp 12545–12552   DOI: 10.1021/ic401588j   Supporting Info

Varying Substituents and Solvents To Maximize the Luminescence from [Ru(trpy)(bpy)CN]+ Derivatives Matthew A. Bork, Hunter B. Vibbert, David J. Stewart, Phillip E. Fanwick, and David R. McMillin pp 12553–12560   DOI: 10.1021/ic4016367   Supporting Info

8-Quinolinolato Gallium Complexes: Iso-selective Initiators for rac-Lactide Polymerization Clare Bakewell, Andrew J. P. White, Nicholas J. Long, and Charlotte K. Williams pp 12561–12567   DOI: 10.1021/ic4016756   Supporting Info

Characterization of Monomeric MnII/III/IV–Hydroxo Complexes from X- and Q-Band Dual Mode Electron Paramagnetic Resonance (EPR) Spectroscopy Rupal Gupta, Taketo Taguchi, A. S. Borovik, and Michael P. Hendrich pp 12568–12575   DOI: 10.1021/ic401681r   Supporting Info

Cp*Co(III) Catalysts with Proton-Responsive Ligands for Carbon Dioxide Hydrogenation in Aqueous Media Yosra M. Badiei, Wan-Hui Wang, Jonathan F. Hull, David J. Szalda, James T. Muckerman, Yuichiro Himeda, and Etsuko Fujita pp 12576–12586   DOI: 10.1021/ic401707u   Supporting Info

Tris(3,5-di-tert-butylcatecholato)molybdenum(VI): Lewis Acidity and Nonclassical Oxygen Atom Transfer Reactions Amanda H. Randolph, Nicholas J. Seewald, Karl Rickert, and and Seth N. Brown pp 12587–12598   DOI: 10.1021/ic401736f   Supporting Info

Triangular Exchange Interaction Patterns in K3Fe6F19: An Iron Potassium Fluoride with a Complex Tungsten Bronze Related Structure Francesco Mezzadri, Gianluca Calestani, Lara Righi, Chiara Pernechele, Massimo Solzi, and Clemens Ritter pp 12599–12604   DOI: 10.1021/ic401749q   Supporting Info

31P Magic Angle Spinning NMR Study of Flux-Grown Rare-Earth Element Orthophosphate (Monazite/Xenotime) Solid Solutions: Evidence of Random Cation Distribution from Paramagnetically Shifted NMR Resonances Aaron C. Palke, Jonathan F. Stebbins, and Lynn A. Boatner pp 12605–12615   DOI: 10.1021/ic401757z

Interaction between a Transition-Metal Fluoride and a Transition-Metal Hydride: Water-Mediated Hydrofluoric Acid Evolution Following Fluoride Solvation Michele R. Chierotti, Andrea Rossin, Roberto Gobetto, and Maurizio Peruzzini pp 12616–12623   DOI: 10.1021/ic401798b   Supporting Info

Control of the Charge Distribution and Modulation of the Class II–III Transition in Weakly Coupled Mo2–Mo2 Systems Xuan Xiao, Chun Y. Liu, Qiao He, Mei Juan Han, Miao Meng, Hao Lei, and Xin Lu pp 12624–12633   DOI: 10.1021/ic4017855   Supporting Info

Paramagnetic Hexacyanometalates. The Diversity of Spin Distribution Studied by 13C and 15N MAS NMR Spectroscopy Natalia Baumgärtel, Alexandrine Flambard, Frank H. Köhler, and Rodrigue Lescouëzec pp 12634–12644   DOI: 10.1021/ic401830f   Supporting Info

Triphos Iridium(III) Halide Complex Photochemistry: Triphos Arm Dissociation Andreas Ross and Paul R. Sharp pp 12645–12654   DOI: 10.1021/ic401835d   Supporting Info

Light-Enhanced Displacement of Methyl Acrylate from Iron Carbonyl: Investigation of the Reactive Intermediate via Rapid-Scan Fourier Transform Infrared and Computational Studies Sohail Muhammad, Salvador Moncho, Bo Li, Samuel J. Kyran, Edward N. Brothers, Donald J. Darensbourg, and Ashfaq A. Bengali pp 12655–12660   DOI: 10.1021/ic401836n   Supporting Info

Metal–Organic Frameworks Based on Previously Unknown Zr8/Hf8 Cubic Clusters Dawei Feng, Hai-Long Jiang, Ying-Pin Chen, Zhi-Yuan Gu, Zhangwen Wei, and Hong-Cai Zhou pp 12661–12667   DOI: 10.1021/ic4018536   Supporting Info

A Highly Selective Fluorescence “Turn-On” Probe for Cu(II) Based on Reaction and Its Imaging in Living Cells Zhaohua Shi, Xiaoliang Tang, Xiaoyan Zhou, Ju Cheng, Qingxin Han, Ji-an Zhou, Bei Wang, Yanfang Yang, Weisheng Liu, and Decheng Bai pp 12668–12673   DOI: 10.1021/ic401865e   Supporting Info

Synthesis and Reactivity of New Bis(N-heterocyclic carbene) Iridium(I) Complexes David J. Nelson, Byron J. Truscott, Alexandra M. Z. Slawin, and Steven P. Nolan pp 12674–12681   DOI: 10.1021/ic4018773   Supporting Info

Electron-Deficient Ternary and Quaternary Pnictides Rb4Zn7As7, Rb4Mn3.5Zn3.5Sb7, Rb7Mn12Sb12, and Rb7Mn4Cd8Sb12 with Corrugated Anionic Layers Mansura Khatun, Stanislav S. Stoyko, and Arthur Mar pp 12682–12690   DOI: 10.1021/ic401887b   Supporting Info

Heteroscorpionate Magnesium Alkyls Bearing Unprecedented Apical σ-C(sp3)–Mg Bonds: Heteroselective Ring-Opening Polymerization of rac-Lactide Andrés Garcés, Luis F. Sánchez-Barba, Juan Fernández-Baeza, Antonio Otero, Manuel Honrado, Agustín Lara-Sánchez, and Ana M. Rodríguez pp 12691–12701   DOI: 10.1021/ic401915b   Supporting Info

The Effect of Specific Solvent–Solute Interactions on Complexation of Alkali-Metal Cations by a Lower-Rim Calix[4]arene Amide Derivative Gordan Horvat, Vladimir Stilinović, Branko Kaitner, Leo Frkanec, and Vladislav Tomišić pp 12702–12712   DOI: 10.1021/ic4019184   Supporting Info

Functionalized Bis-Cyclometalated Alkynylgold(III) Complexes: Synthesis, Characterization, Electrochemistry, Photophysics, Photochemistry, and Electroluminescence Studies Vonika Ka-Man Au, Daniel Ping-Kuen Tsang, Keith Man-Chung Wong, Mei-Yee Chan, Nianyong Zhu, and Vivian Wing-Wah Yam pp 12713–12725   DOI: 10.1021/ic4019212   Supporting Info

From an Open Framework to a Layered and a Hexagonal Tungsten Oxide Structure: Controlled Transformation Reactions of an Extended Solid-State Material, Cs3Ga7(SeO3)12 to Ga(OH)(SeO3) and KGa3(SeO4)2(OH)6 Hyun Sun Ahn, Dong Woo Lee, and Kang Min Ok pp 12726–12730   DOI: 10.1021/ic402274s   Supporting Info

Synthesis and Structural Characterization of RE7Zn21Tt2 (RE = La–Nd; Tt = Ge, Sn, and Pb): New Structure Type Among the Polar Intermetallic Phases Nian-Tzu Suen and Svilen Bobev pp 12731–12740   DOI: 10.1021/ic4019844   Supporting Info

NMR Investigations of Dinuclear, Single-Anion Bridged Copper(II) Metallacycles: Structure and Antiferromagnetic Behavior in Solution Daniel L. Reger, Andrea E. Pascui, and Perry J. Pellechia , Andrew Ozarowski pp 12741–12748   DOI: 10.1021/ic402016m   Supporting Info

Dicyclopalladated Complexes of Asymmetrically Substituted Azobenzenes: Synthesis, Kinetics and Mechanisms Marina Juribašić, Ana Budimir, Snježana Kazazić, and Manda Ćurić pp 12749–12757   DOI: 10.1021/ic402017v   Supporting Info

Gas Sorption, Second-Order Nonlinear Optics, and Luminescence Properties of a Series of Lanthanide–Organic Frameworks Based on Nanosized Tris((4-carboxyl)phenylduryl)amine Ligand Yan-Ping He, Yan-Xi Tan, and Jian Zhang pp 12758–12762   DOI: 10.1021/ic4020256   Supporting Info

Molecular and Electronic Structures of Six-Coordinate “Low-Valent” [M(Mebpy)3]0 (M = Ti, V, Cr, Mo) and [M(tpy)2]0 (M = Ti, V, Cr), and Seven-Coordinate [MoF(Mebpy)3](PF6) and [MX(tpy)2](PF6) (M = Mo, X = Cl and M = W, X = F) Mei Wang, Thomas Weyhermüller, Jason England, and Karl Wieghardt pp 12763–12776   DOI: 10.1021/ic402037e   Supporting Info

Reversible Chemisorption of Sulfur Dioxide in a Spin Crossover Porous Coordination Polymer Zulema Arcís-Castillo, Francisco J. Muñoz-Lara, M. Carmen Muñoz, Daniel Aravena, Ana B. Gaspar, Juan F. Sánchez-Royo, Eliseo Ruiz, Masaaki Ohba, Ryotaro Matsuda, Susumu Kitagawa, and José A. Real pp 12777–12783   DOI: 10.1021/ic4020477   Supporting Info

Structural Dynamism and Controlled Chemical Blocking/Unblocking of Active Coordination Space of a Soft Porous Crystal Abhijeet K. Chaudhari, Sanjog S. Nagarkar, Biplab Joarder, Soumya Mukherjee, and Sujit K. Ghosh pp 12784–12789   DOI: 10.1021/ic402058f   Supporting Info

New Polymorph of InVO4: A High-Pressure Structure with Six-Coordinated Vanadium Daniel Errandonea, Oscar Gomis, Braulio García-Domene, Julio Pellicer-Porres, Vasundhara Katari, S. Nagabhusan Achary, Avesh K. Tyagi, and Catalin Popescu pp 12790–12798   DOI: 10.1021/ic402043x   Supporting Info

Synthesis and Modular Structural Architectures of Mineralogically Inspired Novel Complex Pb Oxyhalides Oleg I. Siidra, Diana O. Zinyakhina, Anastasiya I. Zadoya, Sergey V. Krivovichev, and Rick W. Turner pp 12799–12805   DOI: 10.1021/ic402066h   Supporting Info

Oxygen Diffusion and Nonstoichiometry in BiFeO3 Toshimitsu Ito, Tomoharu Ushiyama, Mitsuko Aoki, Yasuhide Tomioka, Yukiya Hakuta, Hiroshi Takashima, and Ruiping Wang pp 12806–12810   DOI: 10.1021/ic402069n

New Insights into Crystallite Size and Cell Parameters Correlation for ZnO Nanoparticles Obtained from Polyol-Mediated Synthesis Isabelle Trenque, Stéphane Mornet, Etienne Duguet, and Manuel Gaudon pp 12811–12817   DOI: 10.1021/ic402152f

Neutron Diffraction Studies of the Molecular Compound [Co2(bta)]n (H4bta =1,2,4,5-Benzenetetracarboxylic Acid): In the Quest of Canted Ferromagnetism Oscar Fabelo, Laura Cañadillas-Delgado, Jorge Pasán, Pau Díaz-Gallifa, Catalina Ruiz-Pérez, Francesc Lloret, Miguel Julve, Inés Puente Orench, Javier Campo, and Juan Rodríguez-Carvajal pp 12818–12827   DOI: 10.1021/ic402186p   Supporting Info

Synthesis, Structure, Luminescent, and Magnetic Properties of Carbonato-Bridged ZnII2LnIII2 Complexes [(μ4-CO3)2{ZnIILnLnIII(NO3)}2] (LnIII = GdIII, TbIII, DyIII; L1 = N,N′-Bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato, L2 = N,N′-Bis(3-ethoxy-2-oxybenzylidene)-1,3-propanediaminato) Kiyomi Ehama, Yusuke Ohmichi, Soichiro Sakamoto, Takeshi Fujinami, Naohide Matsumoto, Naotaka Mochida, Takayuki Ishida, Yukinari Sunatsuki, Masanobu Tsuchimoto, and Nazzareno Re pp 12828–12841   DOI: 10.1021/ic4022273   Supporting Info

A Tripodal Ligand Constructed from Mesoionic Carbene Donors Wei-Tsung Lee, Diane A. Dickie, Alejandro J. Metta-Magaña, and Jeremy M. Smith pp 12842–12846   DOI: 10.1021/ic402311c   Supporting Info

Electrocatalytic Hydrogen Evolution from Water by a Series of Iron Carbonyl Clusters An D. Nguyen, M. Diego Rail, Maheswaran Shanmugam, James C. Fettinger, and Louise A. Berben pp 12847–12854   DOI: 10.1021/ic4023882   Supporting Info

Issue 22

Editorial for the Virtual Issue on Synthetic Inorganic Chemistry Philip P. Power pp 12855–12859   DOI: 10.1021/ic402721e

New Layered Iron Sulfide NaFe1.6S2: Synthesis and Characterization Xiaofang Lai, Xiaolong Chen, Shifeng Jin, Gang Wang, Tingting Zhou, Tianping Ying, Han Zhang, Shijie Shen, and Wanyan Wang pp 12860–12862   DOI: 10.1021/ic4016349   Supporting Info

Iridium-Based Lab-on-a-Molecule for Hg2+ and ClO– with Two Distinct Light-Up Emissions Kun Chen, Jan W. Bats, and Michael Schmittel pp 12863–12865   DOI: 10.1021/ic401983h   Supporting Info

Third-Generation Breathing Metal–Organic Framework with Selective, Stepwise, Reversible, and Hysteretic Adsorption Properties Suresh Sanda, Srinivasulu Parshamoni, and Sanjit Konar pp 12866–12868   DOI: 10.1021/ic402095u   Supporting Info

Spin-Relaxation Properties of a High-Spin Mononuclear MnIIIO6-Containing Complex Alexios Grigoropoulos, Michael Pissas, Patroklos Papatolis, Vassilis Psycharis, Panayotis Kyritsis, and Yiannis Sanakis pp 12869–12871   DOI: 10.1021/ic402042e   Supporting Info

Correlation of the Electronic and Geometric Structures in Mononuclear Copper(II) Superoxide Complexes Jake W. Ginsbach, Ryan L. Peterson, Ryan E. Cowley, Kenneth D. Karlin, and Edward I. Solomon pp 12872–12874   DOI: 10.1021/ic402357u   Supporting Info

Problem Solving with Pentagons: Tsai-Type Quasicrystal as a Structural Response to Chemical Pressure Veronica M. Berns and Daniel C. Fredrickson pp 12875–12877   DOI: 10.1021/ic402412k   Supporting Info

Microwave-Assisted Solvothermal Synthesis and Optical Properties of Tagged MIL-140A Metal–Organic Frameworks Weibin Liang, Ravichandar Babarao, and Deanna M. D’Alessandro pp 12878–12880   DOI: 10.1021/ic4024234   Supporting Info

Syntheses, Structures, Magnetic Properties, and Density Functional Theory Magneto-Structural Correlations of Bis(μ-phenoxo) and Bis(μ-phenoxo)-μ-acetate/Bis(μ-phenoxo)-bis(μ-acetate) Dinuclear FeIIINiII Compounds Susanta Hazra, Sagarika Bhattacharya, Mukesh Kumar Singh, Luca Carrella, Eva Rentschler, Thomas Weyhermueller, Gopalan Rajaraman, and Sasankasekhar Mohanta pp 12881–12892   DOI: 10.1021/ic400345w   Supporting Info

Incorporation of Trinuclear Lanthanide(III) Hydroxo Bridged Clusters in Macrocyclic Frameworks Michał J. Kobyłka, Katarzyna Ślepokura, Maria Acebrón Rodicio, Marta Paluch, and Jerzy Lisowski pp 12893–12903   DOI: 10.1021/ic400508y   Supporting Info

The Protonation States of Oxo-Bridged MnIV Dimers Resolved by Experimental and Computational Mn K Pre-Edge X-ray Absorption Spectroscopy Vera Krewald, Benedikt Lassalle-Kaiser, Thaddeus T. Boron III, Christopher J. Pollock, Jan Kern, Martha A. Beckwith, Vittal K. Yachandra, Vincent L. Pecoraro, Junko Yano, Frank Neese, and Serena DeBeer pp 12904–12914   DOI: 10.1021/ic4008203   Supporting Info

Experimental and Computational X-ray Emission Spectroscopy as a Direct Probe of Protonation States in Oxo-Bridged MnIV Dimers Relevant to Redox-Active Metalloproteins Benedikt Lassalle-Kaiser, Thaddeus T. Boron III, Vera Krewald, Jan Kern, Martha A. Beckwith, Mario U. Delgado-Jaime, Henning Schroeder, Roberto Alonso-Mori, Dennis Nordlund, Tsu-Chien Weng, Dimosthenis Sokaras, Frank Neese, Uwe Bergmann, Vittal K. Yachandra, Serena DeBeer, Vincent L. Pecoraro, and Junko Yano pp 12915–12922   DOI: 10.1021/ic400821g   Supporting Info

Dividing the Spoils: Role of Pyrazine Ligands and Perchlorate Counterions in the Magnetic Properties of Bis(pyrazine)diperchloratecopper(II), [Cu(pz)2](ClO4)2 Sergi Vela, Joaquim Jornet-Somoza, Mark M. Turnbull, Ralf Feyerherm, Juan J. Novoa, and Mercè Deumal pp 12923–12932   DOI: 10.1021/ic400712s   Supporting Info

The Influence of Heme Ruffling on Spin Densities in Ferricytochromes c Probed by Heme Core 13C NMR Jesse G. Kleingardner, Sarah E. J. Bowman, and Kara L. Bren pp 12933–12946   DOI: 10.1021/ic401250d   Supporting Info

Structural and Magnetic Studies of a New Co(II) Thiocyanato Coordination Polymer Showing Slow Magnetic Relaxations and a Metamagnetic Transition Susanne Wöhlert, Tomasz Fic, Zbigniew Tomkowicz, Stefan G. Ebbinghaus, Michał Rams, Wolfgang Haase, and Christian Näther pp 12947–12957   DOI: 10.1021/ic4012235   Supporting Info

Selective Synthesis of Ternary Copper–Antimony Sulfide Nanocrystals Dongying Xu, Shuling Shen, Yejun Zhang, Hongwei Gu, and Qiangbin Wang pp 12958–12962   DOI: 10.1021/ic401291a   Supporting Info

O2 Reduction Reaction by Biologically Relevant Anionic Ligand Bound Iron Porphyrin Complexes Subhra Samanta, Pradip Kumar Das, Sudipta Chatterjee, Kushal Sengupta, Biswajit Mondal, and Abhishek Dey pp 12963–12971   DOI: 10.1021/ic4020652   Supporting Info

Crystal Structures and Properties of Europium Aluminum Oxynitride Eu2AlO3.75N0.1 and Europium Aluminum Oxide EuAl2O4 Keitaro Tezuka, Yoshimi Tokuhara, Makoto Wakeshima, Yue Jin Shan, Hideo Imoto, and Yukio Hinatsu pp 12972–12979   DOI: 10.1021/ic4013334   Supporting Info

Incommensurately Modulated δ″-Au1+xCd2–x Formed by an Unquenchable Phase Transformation from the γ-Brass δ′-Phase Partha P. Jana and Sven Lidin pp 12980–12985   DOI: 10.1021/ic4013608   Supporting Info

Rapid, Large-Scale, Morphology-Controllable Synthesis of YOF:Ln3+ (Ln = Tb, Eu, Tm, Dy, Ho, Sm) Nano-/Microstructures with Multicolor-Tunable Emission Properties Yang Zhang, Dongling Geng, Xiaojiao Kang, Mengmeng Shang, Yuan Wu, Xuejiao Li, Hongzhou Lian, Ziyong Cheng, and Jun Lin pp 12986–12994   DOI: 10.1021/ic401501t   Supporting Info

Synthesis and Characterization of fac-[M(CO)3(P)(OO)] and cis-trans-[M(CO)2(P)2(OO)] Complexes (M = Re, 99mTc) with Acetylacetone and Curcumin as OO Donor Bidentate Ligands Charalampos Triantis, Theodoros Tsotakos, Charalampos Tsoukalas, Marina Sagnou, Catherine Raptopoulou, Aris Terzis, Vassilis Psycharis, Maria Pelecanou, Ioannis Pirmettis, and Minas Papadopoulos pp 12995–13003   DOI: 10.1021/ic401503b   Supporting Info

Uncorrelated Dynamical Processes in Tetranuclear Carboxylate Clusters Studied by Variable-Temperature 1H NMR Spectroscopy. Femke F. B. J. Janssen, Laurens C. J. M. Peters, Paul P. J. Schlebos, Jan M. M. Smits, René de Gelder, and Alan E. Rowan pp 13004–13013   DOI: 10.1021/ic401522v   Supporting Info

Crystal Structure, Exogenous Ligand Binding, and Redox Properties of an Engineered Diiron Active Site in a Bacterial Hemerythrin Yasunori Okamoto, Akira Onoda, Hiroshi Sugimoto, Yu Takano, Shun Hirota, Donald M. Kurtz, Jr., Yoshitsugu Shiro, and Takashi Hayashi pp 13014–13020   DOI: 10.1021/ic401632x   Supporting Info

Molecular and Electronic Structures of Complexes Containing 1-(2-pyridylazo)-2-phenanthrol (PAPL): Revisiting a Redox-Active Ligand Natasha Van Damme, Alan J. Lough, Serge I. Gorelsky, and Martin T. Lemaire pp 13021–13028   DOI: 10.1021/ic401618u   Supporting Info

Phosphorescent Cellular Probes and Uptake Indicators Derived from Cyclometalated Iridium(III) Bipyridine Complexes Appended with a Glucose or Galactose Entity Wendell Ho-Tin Law, Lawrence Cho-Cheung Lee, Man-Wai Louie, Hua-Wei Liu, Tim Wai-Hung Ang, and Kenneth Kam-Wing Lo pp 13029–13041   DOI: 10.1021/ic401714p   Supporting Info

Meso-Helicates with Rigid Angular Tetradentate Ligand: Design, Molecular Structures, and Progress Towards Self-Assembly of Metal–Organic Nanotubes Rodrigue Djeda, Christophe Desmarets, Lise-Marie Chamoreau, Yanling Li, Yves Journaux, Geoffrey Gontard, and Hani Amouri pp 13042–13047   DOI: 10.1021/ic4017195   Supporting Info

Azadipyrromethene Complexes of d8 Metal Centers: Rhodium(I), Iridium(I), Palladium(II), and Platinum(II) Nihal Deligonul and Thomas G. Gray pp 13048–13057   DOI: 10.1021/ic4017239   Supporting Info

Isomerization of Platinum-Coordinated Iminoethers Induced by Spectator Ligands: Stabilization of the Z anti Configuration Daniela Giardina-Papa, Francesco P. Intini, Concetta Pacifico, and Giovanni Natile pp 13058–13067   DOI: 10.1021/ic4017118   Supporting Info

The Stereochemistry and Dynamics of the Introduction of Hydrogen Atoms onto FeMo-co, the Active Site of Nitrogenase Ian Dance pp 13068–13077   DOI: 10.1021/ic401818k

Pentanuclear Heterometallic {Ni2Ln3} (Ln = Gd, Dy, Tb, Ho) Assemblies. Single-Molecule Magnet Behavior and Multistep Relaxation in the Dysprosium Derivative Vadapalli Chandrasekhar, Prasenjit Bag, Wolfgang Kroener, Klaus Gieb, and Paul Müller pp 13078–13086   DOI: 10.1021/ic4019025   Supporting Info

A Rapid Microwave-Assisted Solvothermal Approach to Lower-Valent Transition Metal Oxides Zachary Moorhead-Rosenberg, Katharine L. Harrison, Travis Turner, and Arumugam Manthiram pp 13087–13093   DOI: 10.1021/ic401943r

γ-Brass Polyhedral Core in Intermetallics: The Nanocluster Model Arina A. Pankova, Vladislav A. Blatov, Gregory D. Ilyushin, and Davide M. Proserpio pp 13094–13107   DOI: 10.1021/ic4019713   Supporting Info

Synthesis and Isolation of Methacrylate- and Acrylate-Functionalized Polyhedral Oligomeric Silsesquioxanes (T8, T10, and T12) and Characterization of the Relationship between Their Chemical Structures and Physical Properties Vuthichai Ervithayasuporn and Supansa Chimjarn pp 13108–13112   DOI: 10.1021/ic401994m   Supporting Info

CuI Thiolate Reactivity with Dioxygen: The Formation of CuII Sulfinate and CuII Sulfonate Species via a CuII Thiolate Intermediate Erica C.M. Ording-Wenker, Maxime A. Siegler, Martin Lutz, and Elisabeth Bouwman pp 13113–13122   DOI: 10.1021/ic402001t   Supporting Info

Mössbauer Spectroscopy as a Probe of Magnetization Dynamics in the Linear Iron(I) and Iron(II) Complexes [Fe(C(SiMe3)3)2]1–/0 Joseph M. Zadrozny, Dianne J. Xiao, and Jeffrey R. Long , Mihail Atanasov and Frank Neese , Fernande Grandjean and Gary J. Long pp 13123–13131   DOI: 10.1021/ic402013n   Supporting Info

Sugar–Metal Ion Interactions: The Complicated Coordination Structures of Cesium Ion with d-Ribose and myo-Inositol Haijian Hu, Junhui Xue, Xiaodong Wen, Weihong Li, Chao Zhang, Limin Yang, Yizhuang Xu, Guozhong Zhao, Xiaoxia Bu, Kexin Liu, Jia’er Chen, and Jinguang Wu pp 13132–13145   DOI: 10.1021/ic402027j   Supporting Info

Theoretical Study of Mononuclear Nickel(I), Nickel(0), Copper(I), and Cobalt(I) Dioxygen Complexes: New Insight into Differences and Similarities in Geometry and Bonding Nature Yue Chen and Shigeyoshi Sakaki pp 13146–13159   DOI: 10.1021/ic402059b   Supporting Info

Synthesis and Structural Characterization of Molybdenum(VI) and Iron(II) Coordination Compounds with S-Alkyl-N-methyl-S-(2-pyridyl)sulfoximines and Catalytic Epoxidation Activity of the Molybdenum Complexes Yvonne Brussaard, Falk Olbrich, and Ernst Schaumann pp 13160–13166   DOI: 10.1021/ic4020306   Supporting Info

Coordination of Terpyridine to Li+ in Two Different Ionic Liquids Klaus Pokorny, Matthias Schmeisser, Frank Hampel, Achim Zahl, Ralph Puchta, and Rudi van Eldik pp 13167–13178   DOI: 10.1021/ic4020724   Supporting Info

Synthesis and Structural and Electrical Investigations of a Hexagonal Y1–xGdxInO3 (0.0 ≤ x ≤ 1.0) System Obtained via Metastable C-Type Intermediates Rakesh Shukla, Vinita Grover, S. K. Deshpande, Dheeraj Jain, and Avesh K. Tyagi pp 13179–13187   DOI: 10.1021/ic402085w   Supporting Info

Photo- and Vapor-Controlled Luminescence of Rhombic Dicopper(I) Complexes Containing Dimethyl Sulfoxide Atsushi Kobayashi, Kahori Komatsu, Hiroki Ohara, Waka Kamada, Yuko Chishina, Kiyoshi Tsuge, Ho-Chol Chang, and Masako Kato pp 13188–13198   DOI: 10.1021/ic402104q   Supporting Info

Determination of Crystal-Field Energy Levels and Temperature Dependence of Magnetic Susceptibility for Dy3+ in [Dy2Pd] Heterometallic Complex Mirosław Karbowiak, Czesław Rudowicz, and Takayuki Ishida pp 13199–13206   DOI: 10.1021/ic4021542   Supporting Info

Structures and Stability of Molecular InBr3Pyx (x = 1–3) Complexes: Unexpected Solid State Stabilization of Dimeric In2Br6Py4 As Compared to Valence-Isoelectronic Group 15 and 17 Halogen Bridging Dimers Igor V. Kazakov, Michael Bodensteiner, Anna S. Lisovenko, Andrew V. Suvorov, Manfred Scheer, Gábor Balázs, and Alexey Y. Timoshkin pp 13207–13215   DOI: 10.1021/ic402162d   Supporting Info

Chloro- and Trifluoromethyl-Substituted Flanking-Ring m-Terphenyl Isocyanides: η6-Arene Binding to Zero-Valent Molybdenum Centers and Comparison to Alkyl-Substituted Derivatives Treffly B. Ditri, Alex E. Carpenter, Donald S. Ripatti, Curtis E. Moore, Arnold. L. Rheingold, and Joshua S. Figueroa pp 13216–13229   DOI: 10.1021/ic402130p   Supporting Info

Mixed-Spin [2 × 2] Fe4 Grid Complex Optimized for Quantum Cellular Automata Benjamin Schneider, Serhiy Demeshko, Sven Neudeck, Sebastian Dechert, and Franc Meyer pp 13230–13237   DOI: 10.1021/ic4021838   Supporting Info

Various Three-Dimensional Structures Connected by Al–O/OH/Acetate–Al Bonds Katalin Sinkó, Shiro Kubuki, and Herwig Peterlik pp 13238–13243   DOI: 10.1021/ic402189c

Defect Structure, Phase Separation, and Electrical Properties of Nonstoichiometric Tetragonal Tungsten Bronze Ba0.5–xTaO3–x Xiaojun Kuang, Fengjuan Pan, Jiang Cao, Chaolun Liang, Matthew R. Suchomel, Florence Porcher, and Mathieu Allix pp 13244–13252   DOI: 10.1021/ic402188x   Supporting Info

Anion Encapsulation and Geometric Changes in Hepta- and Hexanuclear Copper(I) Dichalcogeno Clusters: A Theoretical and Experimental Investigation Camille Latouche, Samia Kahlal, Yan-Ru Lin, Jian-Hong Liao, Eric Furet, C. W. Liu, and Jean-Yves Saillard pp 13253–13262   DOI: 10.1021/ic402207u   Supporting Info

A Series of Weak Ferromagnets Based on a Chromium–Acetylide–TTF Type Complex: Correlation of the Structures and Magnetic Properties and Origin of the Weak Ferromagnetism Junichi Nishijo and Masaya Enomoto pp 13263–13268   DOI: 10.1021/ic402217c   Supporting Info

Crystal and Magnetic Structure in Co-Substituted BiFeO3 Izabela Sosnowska, Masaki Azuma, Radosław Przeniosło, Dariusz Wardecki, Wei-tin Chen, Kengo Oka, and Yuichi Shimakawa pp 13269–13277   DOI: 10.1021/ic402427q   Supporting Info

Thermochromism, the Alexandrite Effect, and Dynamic Jahn–Teller Distortions in Ho2Cu(TeO3)2(SO4)2 Jian Lin, Kariem Diefenbach, Justin N. Cross, Jean-Marie Babo, and Thomas E. Albrecht-Schmitt pp 13278–13281   DOI: 10.1021/ic402432q   Supporting Info

1,4,7-Triazacyclononane Ligands Bearing Tertiary Alkyl Nitrogen Substituents Arumugam Thangavel, Marika Wieliczko, John Bacsa, and Christopher C. Scarborough pp 13282–13287   DOI: 10.1021/ic402626p   Supporting Info

Correction to New Iron(II) Spin Crossover Coordination Polymers [Fe(μ-atrz)3]X2·2H2O (X = ClO4¯, BF4¯) and [Fe(μ-atrz)(μ-pyz)(NCS)2]·4H2O with an Interesting Solvent Effect Yu-Chun Chuang, Chi-Tsun Liu, Chou-Fu Sheu, Wei-Lun Ho, Gene-Hsiang Lee, Chih-Chieh Wang, and Yu Wang pp 13288–13288   DOI: 10.1021/ic402722x

Issue 23

NdNiMg5, a New Magnesium-Rich Phase with an Unusual Structural Type Bassem Ourane, Etienne Gaudin, Ridha Zouari, Samuel Couillaud, and Jean-Louis Bobet pp 13289–13291   DOI: 10.1021/ic401911g   Supporting Info

Non-Heme Mononitrosyldiiron Complexes: Importance of Iron Oxidation State in Controlling the Nature of the Nitrosylated Products Amit Majumdar and Stephen J. Lippard pp 13292–13294   DOI: 10.1021/ic4019508   Supporting Info

One-Dimensional Palladium Wires: Influence of Molecular Changes on Supramolecular Structure Michael G. Campbell, Shao-Liang Zheng, and Tobias Ritter pp 13295–13297   DOI: 10.1021/ic4019635   Supporting Info

“Criss-Crossed” Dinucleating Behavior of an N4 Schiff Base Ligand: Formation of a μ-OH,μ-O2 Dicobalt(III) Core via O2 Activation Yae In Cho, David M. Joseph, and Michael J. Rose pp 13298–13300   DOI: 10.1021/ic402391f   Supporting Info

Perdeuterated 2,2′-Bipyridine-6,6′-dicarboxylate: An Extremely Efficient Sensitizer for Thulium Luminescence in Solution Jessica Wahsner and Michael Seitz pp 13301–13303   DOI: 10.1021/ic402652t   Supporting Info

Influence of Cation Substitution and Activator Site Exchange on the Photoluminescence Properties of Eu3+-Doped Quaternary Pyrochlore Oxides S. K. Mahesh, P. Prabhakar Rao, Mariyam Thomas, T. Linda Francis, and Peter Koshy pp 13304–13313   DOI: 10.1021/ic401802s   Supporting Info

New Supramolecular Structural Motif Coupling a Ruthenium(II) Polyazine Light Absorber to a Rhodium(I) Center Rongwei Zhou, Baburam Sedai, Gerald F. Manbeck, and Karen J. Brewer pp 13314–13324   DOI: 10.1021/ic4006828   Supporting Info

Isolation and Characterization of a Dihydroxo-Bridged Iron(III,III)(μ-OH)2 Diamond Core Derived from Dioxygen Michael K. Coggins, Santiago Toledo, and Julie A. Kovacs pp 13325–13331   DOI: 10.1021/ic4010906   Supporting Info

Systematic Study of the Luminescent Europium-Based Nonanuclear Clusters with Modified 2-Hydroxybenzophenone Ligands Bin Zhang, Ting Xiao, Chunmei Liu, Qian Li, Yanyan Zhu, Mingsheng Tang, Chenxia Du, and Maoping Song pp 13332–13340   DOI: 10.1021/ic401191e   Supporting Info

Crystal Structures of Manganese and Cobalt Dichloride Monohydrate and Deuteration Effects on Magnetic Behavior S. Pagola, K. T. Trowell, K. C. Havas, Z. D. Reed, D. G. Chan, M. J. Van Dongen, and G. C. DeFotis pp 13341–13350   DOI: 10.1021/ic4013075   Supporting Info

Exchange Coupling and Its Chemical Trend Studied by High-Frequency EPR on Heterometallic [Ln2Ni] Complexes Atsushi Okazawa, Takashi Shimada, Norimichi Kojima, Shunsuke Yoshii, Hiroyuki Nojiri, and Takayuki Ishida pp 13351–13355   DOI: 10.1021/ic402417h   Supporting Info

Synthetic Route to Metal Nitrides: High-Pressure Solid-State Metathesis Reaction Li Lei, Wenwen Yin, Xiaodong Jiang, Sen Lin, and Duanwei He pp 13356–13362   DOI: 10.1021/ic4014834   Supporting Info

Magnetic Structure and Electromagnetic Properties of LnCrAsO with a ZrCuSiAs-type Structure (Ln = La, Ce, Pr, and Nd) Sang-Won Park, Hiroshi Mizoguchi, Katsuaki Kodama, Shin-ichi Shamoto, Toshiya Otomo, Satoru Matsuishi, Toshio Kamiya, and Hideo Hosono pp 13363–13368   DOI: 10.1021/ic401487q   Supporting Info

The (N4C2)2– Donor Set as Promising Motif for Bis(tridentate) Iron(II) Photoactive Compounds Isabelle M. Dixon, Fabienne Alary, Martial Boggio-Pasqua, and Jean-Louis Heully pp 13369–13374   DOI: 10.1021/ic402453p   Supporting Info

Preferential Behavior on Donating Atoms of an Ambidentate Ligand 2-Methylisothiazol-3(2H)-one in Its Metal Complexes Masaru Kato, Kei Unoura, Toshiyuki Takayanagi, Yasuhisa Ikeda, Takashi Fujihara, and Akira Nagasawa pp 13375–13383   DOI: 10.1021/ic401673z   Supporting Info

Digermylene Oxide Complexes: Facile Synthesis and Reactivity Rahul Kumar Siwatch, Dhirendra Yadav, Goutam Mukherjee, Gopalan Rajaraman, and Selvarajan Nagendran pp 13384–13391   DOI: 10.1021/ic401720e   Supporting Info

Trans and Cis Effects of Axial Fluoroalkyl Ligands in Vitamin B12 Analogues: Relationship between Alkyl- and Fluoroalkyl-Cobalamins Lucio Randaccio, Giovanna Brancatelli, Nicola Demitri, Renata Dreos, Neal Hickey, Patrizia Siega, and Silvano Geremia pp 13392–13401   DOI: 10.1021/ic401715e   Supporting Info

Investigation on NMR Relaxivity of Nano-Sized Cyano-Bridged Coordination Polymers Marine Perrier, Samir Kenouche, Jêrôme Long, Kalaivani Thangavel, Joulia Larionova, Christophe Goze-Bac, Alessandro Lascialfari, Manuel Mariani, Nathalie Baril, Christian Guérin, Bruno Donnadieu, Alexander Trifonov, and Yannick Guari pp 13402–13414   DOI: 10.1021/ic401710j   Supporting Info

Role of Spin State and Ligand Charge in Coordination Patterns in Complexes of 2,6-Diacetylpyridinebis(semioxamazide) with 3d-Block Metal Ions: A Density Functional Theory Study Stepan Stepanović, Ljubica Andjelković, Matija Zlatar, Katarina Andjelković, Maja Gruden-Pavlović, and Marcel Swart pp 13415–13423   DOI: 10.1021/ic401752n   Supporting Info

Vanadium Thiolate Complexes for Efficient and Selective Sulfoxidation Catalysis: A Mechanistic Investigation Nikita Hall, Maylis Orio, Adeline Jorge-Robin, Béatrice Gennaro, Caroline Marchi-Delapierre, and Carole Duboc pp 13424–13431   DOI: 10.1021/ic4017504   Supporting Info

Selective Hg2+ Sensing Behaviors of Rhodamine Derivatives with Extended Conjugation Based on Two Successive Ring-Opening Processes Chunyan Wang and Keith Man-Chung Wong pp 13432–13441   DOI: 10.1021/ic401810x   Supporting Info

A Combined Experimental and Theoretical Investigation on the Role of Halide Ligands on the Catecholase-like Activity of Mononuclear Nickel(II) Complexes with a Phenol-Based Tridentate Ligand Jaydeep Adhikary, Prateeti Chakraborty, Sudhanshu Das, Tanmay Chattopadhyay, Antonio Bauzá, Shyamal Kumar Chattopadhyay, Bipinbihari Ghosh, Franz A. Mautner, Antonio Frontera, and Debasis Das pp 13442–13452   DOI: 10.1021/ic401819t   Supporting Info

Iridium(III) Hydrido N-Heterocyclic Carbene–Phosphine Complexes as Catalysts in Magnetization Transfer Reactions Marianna Fekete, Oliver Bayfield, Simon B. Duckett, Sam Hart, Ryan E. Mewis, Natalie Pridmore, Peter J. Rayner, and Adrian Whitwood pp 13453–13461   DOI: 10.1021/ic401783c   Supporting Info

Switchable Magnetism: Neutron Diffraction Studies of the Desolvated Coordination Polymer Co3(OH)2(C4O4)2 Richard A. Mole, Muhammad A. Nadeem, John A. Stride, Vanessa K. Peterson, and Paul T. Wood pp 13462–13468   DOI: 10.1021/ic4018344   Supporting Info

Crystal Structures and Photoluminescence across the La2Si2O7–Ho2Si2O7 System Alberto J. Fernández-Carrión, Mathieu Allix, Manuel Ocaña, Jorge Garcı́a-Sevillano, Fernando Cusso, Andrew N. Fitch, Emmanuelle Suard, and Ana I. Becerro pp 13469–13479   DOI: 10.1021/ic401867c   Supporting Info

Bismuth–Halide Oxidative Addition and Bismuth–Carbon Reductive Elimination in Platinum Complexes Containing Chelating Diphosphine Ligands S. Masoud Nabavizadeh, Fatemeh Niroomand Hosseini, Negar Nejabat, and Zahra Parsa pp 13480–13489   DOI: 10.1021/ic4018745

An Inorganic Chromophore Based on a Molecular Oxide Supported Metal Carbonyl Cluster: [P2W17O61{Re(CO)3}3{ORb(H2O)}(μ3-OH)]9– Chongchao Zhao, William Rodríguez-Córdoba, Alexey L. Kaledin, Ye Yang, Yurii V. Geletii, Tianquan Lian, Djamaladdin G. Musaev, and Craig L. Hill pp 13490–13495   DOI: 10.1021/ic4018823   Supporting Info

Mechanism-Based Inactivation of Cytochromes by Furan Epoxide: Unraveling the Molecular Mechanism Nikhil Taxak, Sourav Kalra, and Prasad V. Bharatam pp 13496–13508   DOI: 10.1021/ic401907k   Supporting Info

Copper(I) Complexes Based on Five-Membered PN Heterocycles: Structural Diversity Linked to Exciting Luminescence Properties Daniel M. Zink, Thomas Baumann, Jana Friedrichs, Martin Nieger, and Stefan Bräse pp 13509–13520   DOI: 10.1021/ic4019162   Supporting Info

Isostructural Nuclear and Luminescent Probes Derived From Stabilized [2 + 1] Rhenium(I)/Technetium(I) Organometallic Complexes Tamil Selvi Pitchumony, Laura Banevicius, Nancy Janzen, Jon Zubieta, and John F. Valliant pp 13521–13528   DOI: 10.1021/ic401972g   Supporting Info

Anticancer C,N-Cycloplatinated(II) Complexes Containing Fluorinated Phosphine Ligands: Synthesis, Structural Characterization, and Biological Activity Natalia Cutillas, Alexandra Martínez, Gorakh S. Yellol, Venancio Rodríguez, Ana Zamora, Mónica Pedreño, Antonio Donaire, Christoph Janiak, and José Ruiz pp 13529–13535   DOI: 10.1021/ic401973k   Supporting Info

Modeling the Magnetic Properties and Mössbauer Spectra of Multifunctional Magnetic Materials Obtained by Insertion of a Spin-Crossover Fe(III) Complex into Bimetallic Oxalate-Based Ferromagnets S. M. Ostrovsky, O. S. Reu, A. V. Palii, M. Clemente-León, E. Coronado, J. C. Waerenborgh, and S. I. Klokishner pp 13536–13545   DOI: 10.1021/ic401997w

C–H Oxidation by H2O2 and O2 Catalyzed by a Non-Heme Iron Complex with a Sterically Encumbered Tetradentate N-Donor Ligand Qiao Zhang, John D. Gorden, and Christian R. Goldsmith pp 13546–13554   DOI: 10.1021/ic402501k   Supporting Info

Controlling the Dipole–Dipole Interactions between Terbium(III) Phthalocyaninato Triple-Decker Moieties through Spatial Control Using a Fused Phthalocyaninato Ligand Takaumi Morita, Keiichi Katoh, Brian K. Breedlove, and Masahiro Yamashita pp 13555–13561   DOI: 10.1021/ic4020459   Supporting Info

Pt···Pt vs Pt···S Contacts Between Pt-Containing Heterobimetallic Lantern Complexes Frederick G. Baddour, Stephanie R. Fiedler, Matthew P. Shores, Jeffrey W. Bacon, James A. Golen, Arnold L. Rheingold, and Linda H. Doerrer pp 13562–13575   DOI: 10.1021/ic402075y   Supporting Info

Trinuclear Copper(I) and Silver(I) Adducts of 4-Chloro-3,5-bis(trifluoromethyl)pyrazolate and 4-Bromo-3,5-bis(trifluoromethyl)pyrazolate Champika V. Hettiarachchi, Manal A. Rawashdeh-Omary, Daniel Korir, Jehan Kohistani, Muhammed Yousufuddin, and H. V. Rasika Dias pp 13576–13583   DOI: 10.1021/ic402080y   Supporting Info

Dispersion Force Stabilized Two-Coordinate Transition Metal–Amido Complexes of the −N(SiMe3)Dipp (Dipp = C6H3-2,6-Pri2) Ligand: Structural, Spectroscopic, Magnetic, and Computational Studies Chun-Yi Lin, Jing-Dong Guo, James C. Fettinger, Shigeru Nagase, Fernande Grandjean, Gary J. Long, Nicholas F. Chilton, and Philip P. Power pp 13584–13593   DOI: 10.1021/ic402105m   Supporting Info

Photochemical Oxidation of a Manganese(III) Complex with Oxygen and Toluene Derivatives to Form a Manganese(V)-Oxo Complex Jieun Jung, Kei Ohkubo, Katharine A. Prokop-Prigge, Heather M. Neu, David P. Goldberg, and Shunichi Fukuzumi pp 13594–13604   DOI: 10.1021/ic402121j   Supporting Info

Structure and Magnetic Properties of the α-NaFeO2-Type Honeycomb Compound Na3Ni2BiO6 Elizabeth M. Seibel, J. H. Roudebush, Hui Wu, Qingzhen Huang, Mazhar N. Ali, Huiwen Ji, and R. J. Cava pp 13605–13611   DOI: 10.1021/ic402131e   Supporting Info

Square-Planar Cu(II) Diketiminate Complexes in Lactide Polymerization Todd J. J. Whitehorne and Frank Schaper pp 13612–13622   DOI: 10.1021/ic402133c   Supporting Info

Gold Network Structures in Rhombohedral and Monoclinic Sr2Au6(Au,T)3 (T = Zn, Ga). A Transition via Relaxation Trinath Mishra, Qisheng Lin, and John D. Corbett pp 13623–13630   DOI: 10.1021/ic402145k   Supporting Info

Yb5Ga2Sb6: A Mixed Valent and Narrow-Band Gap Material in the RE5M2X6 Family Udumula Subbarao, Sumanta Sarkar, Vijay Kumar Gudelli, V. Kanchana, G. Vaitheeswaran, and Sebastian C. Peter pp 13631–13638   DOI: 10.1021/ic402185s   Supporting Info

High-Temperature, High-Pressure Hydrothermal Synthesis, Crystal Structures, and Spectroscopic Studies of a Uranium(IV) Phosphate (Na10U2P6O24) and the Isotypic Cerium(IV) Phosphate (Na10Ce2P6O24) Yu-Hsien Lai, Yu-Chih Chang, Tsz-Fung Wong, Wan-Ju Tai, Wen-Jung Chang, and Kwang-Hwa Lii pp 13639–13643   DOI: 10.1021/ic402208s   Supporting Info

SrGe2B2O8 and Sr3Ge2B6O16: Novel Strontium Borogermanates with Three-Dimensional and Layered Anionic Architectures Yu-Cheng Hao, Chun-Li Hu, Xiang Xu, Fang Kong, and Jiang-Gao Mao pp 13644–13650   DOI: 10.1021/ic402214p   Supporting Info

Synthesis of (TDAE)(O2SSO2)(s) and Discovery of (TDAE)(O2SSSSO2)(s) Containing the First Polythionite, [O2SSSSO2]2– Pablo Bruna, Andreas Decken, Scott Greer, Friedrich Grein, H. Donald B. Jenkins, Birgit Mueller, Jack Passmore, Tressia A. P. Paulose, J. Mikko Rautiainen, Stephanie Richardson, and Melbourne J. Schriver pp 13651–13662   DOI: 10.1021/ic4022195   Supporting Info

Biological Studies of Chalcogenolato-Bridged Dinuclear Half-Sandwich Complexes Justin P. Johnpeter, Gajendra Gupta, Jerald Mahesh Kumar, Gunda Srinivas, Narayana Nagesh, and Bruno Therrien pp 13663–13673   DOI: 10.1021/ic4022307

The Electrode as Organolithium Reagent: Catalyst-Free Covalent Attachment of Electrochemically Active Species to an Azide-Terminated Glassy Carbon Electrode Surface Atanu K. Das, Mark H. Engelhard, Fei Liu, R. Morris Bullock, and John A. S. Roberts pp 13674–13684   DOI: 10.1021/ic402247n   Supporting Info

Design of One-Dimensional Coordination Networks from a Macrocyclic {3d-4f} Single-Molecule Magnet Precursor Linked by [W(CN)8]3– Anions Sébastien Dhers, Humphrey L. C. Feltham, Rodolphe Clérac, and Sally Brooker pp 13685–13691   DOI: 10.1021/ic402248y   Supporting Info

Understanding the Mechanism of Polymerization of ε-Caprolactone Catalyzed by Aluminum Salen Complexes Maria O. Miranda, Yvonne DePorre, Hugo Vazquez-Lima, Michelle A. Johnson, Daniel J. Marell, Christopher J. Cramer, and William B. Tolman pp 13692–13701   DOI: 10.1021/ic402255m   Supporting Info

Wells–Dawson Cages as Molecular Refrigerants Eufemio Moreno Pineda, Floriana Tuna, Yan-Zhen Zheng, Richard E. P. Winpenny, and Eric J. L. McInnes pp 13702–13707   DOI: 10.1021/ic402296t   Supporting Info

Color-Tunable and White Luminescence Properties via Energy Transfer in Single-Phase KNaCa2(PO4)2:A (A = Ce3+, Eu2+, Tb3+, Mn2+, Sm3+) Phosphors Dongling Geng, Mengmeng Shang, Yang Zhang, Hongzhou Lian, and Jun Lin pp 13708–13718   DOI: 10.1021/ic402305x   Supporting Info

Cobalt(III) Diazabutadiene Precursors for Metal Deposition: Nanoparticle and Thin Film Growth Thomas Pugh, Samuel D. Cosham, Jeff A. Hamilton, Andrew J. Kingsley, and Andrew L. Johnson pp 13719–13729   DOI: 10.1021/ic402317g   Supporting Info

Average and Local Structural Origins of the Optical Properties of the Nitride Phosphor La3–xCexSi6N11 (0 < x ≤ 3) Nathan C. George, Alexander Birkel, Jakoah Brgoch, Byung-Chul Hong, Alexander A. Mikhailovsky, Katharine Page, Anna Llobet, and Ram Seshadri pp 13730–13741   DOI: 10.1021/ic402318k   Supporting Info

Slow Spin Dynamics between Ferromagnetic Chains in a Pure-Inorganic Framework Rénald David, Houria Kabbour, Silviu Colis, and Olivier Mentré pp 13742–13750   DOI: 10.1021/ic402336n   Supporting Info

Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites Ikuya Yamada, Hidenobu Etani, Kazuki Tsuchida, Shohei Marukawa, Naoaki Hayashi, Takateru Kawakami, Masaichiro Mizumaki, Kenya Ohgushi, Yoshihiro Kusano, Jungeun Kim, Naruki Tsuji, Ryoji Takahashi, Norimasa Nishiyama, Toru Inoue, Tetsuo Irifune, and Mikio Takano pp 13751–13761   DOI: 10.1021/ic402344m   Supporting Info

Synthesis and Selective Topochemical Fluorination of the Cation and Anion-Vacancy Ordered phases Ba2YCoO5 and Ba3YCo2O7.5 Kun Luo, T. Thao Tran, P. Shiv Halasyamani, and Michael A. Hayward pp 13762–13769   DOI: 10.1021/ic402349r   Supporting Info

Shedding Light on the Single-Molecule Magnet Behavior of Mononuclear DyIII Complexes Daniel Aravena and Eliseo Ruiz pp 13770–13778   DOI: 10.1021/ic402367c   Supporting Info

Thermal and Photoreductive Elimination from the Tellurium Center of π-Conjugated Tellurophenes Elisa I. Carrera, Theresa M. McCormick, Marius J. Kapp, Alan J. Lough, and Dwight S. Seferos pp 13779–13790   DOI: 10.1021/ic402485d   Supporting Info

Transition Metal Complexes of 3-Amino-1-nitroguanidine as Laser Ignitible Primary Explosives: Structures and Properties Niko Fischer, Manuel Joas, Thomas M. Klapötke, and Jörg Stierstorfer pp 13791–13802   DOI: 10.1021/ic402038x   Supporting Info

Issue 24

Density Functional Theory Study of the Attack of Ebselen on a Zinc-Finger Model Sonia Antony and Craig A. Bayse pp 13803–13805   DOI: 10.1021/ic401429z   Supporting Info

CO-Releasing Binuclear Rhodium Complexes as Inhibitors of Nitric Oxide Generation in Stimulated Macrophages María E. Moragues, Rita Brines, MaCarmen Terencio, Félix Sancenón, Ramón Martínez-Máñez, and MaJosé Alcaraz pp 13806–13808   DOI: 10.1021/ic401967g   Supporting Info

Substituent-Dependent Spin-Density Distribution and Coexistence of Fe 3d and π Spins on Ferrocene–Tetrathiafulvalene Hybrids Tetsuro Kusamoto, Hiroshi Nishihara, and Reizo Kato pp 13809–13811   DOI: 10.1021/ic4022678   Supporting Info

Negative Differential Resistance in MX- and MMX-Type Iodide-Bridged Platinum Complexes Hiroaki Iguchi, Shinya Takaishi, Deli Jiang, Jimin Xie, Masahiro Yamashita, Atsuko Uchida, and Hitoshi Kawaji pp 13812–13814   DOI: 10.1021/ic402277x   Supporting Info

In Situ Construction of a Coordination Zirconocene Tetrahedron Guoliang Liu, Zhanfeng Ju, Daqiang Yuan, and Maochun Hong pp 13815–13817   DOI: 10.1021/ic402428m   Supporting Info

Crystalline Fibers of Metal–Peptide Double Ladders Dani Peri, Jim Ciston, Felipe Gándara, Yingbo Zhao, and Omar M. Yaghi pp 13818–13820   DOI: 10.1021/ic402435z   Supporting Info

Cage Shrinkage of Fullerene via a C2 Loss: from IPR C90(28)Cl24 to Nonclassical, Heptagon-Containing C88Cl22/24 Ilya N. Ioffe, Olga N. Mazaleva, Lev N. Sidorov, Shangfeng Yang, Tao Wei, Erhard Kemnitz, and Sergey I. Troyanov pp 13821–13823   DOI: 10.1021/ic402556g   Supporting Info

AgCu3V4O12: a Novel Perovskite Containing Mixed-Valence Silver ions Yasuhide Akizuki, Ikuya Yamada, Koji Fujita, Hirofumi Akamatsu, Tetsuo Irifune, and Katsuhisa Tanaka pp 13824–13826   DOI: 10.1021/ic402579v   Supporting Info

Peculiar Features in the Crystal Structure of the Adduct Formed between cis-PtI2(NH3)2 and Hen Egg White Lysozyme Luigi Messori, Tiziano Marzo, Chiara Gabbiani, Amparo A. Valdes, Adoracion G. Quiroga, and Antonello Merlino pp 13827–13829   DOI: 10.1021/ic402611m   Supporting Info

Fluorescent Organic Nanoparticles of Biginelli-Based Molecules: Recognition of Hg2+ and Cl– in an Aqueous Medium Ajnesh Singh, Tilak Raj, Thammarat Aree, and Narinder Singh pp 13830–13832   DOI: 10.1021/ic402763z   Supporting Info

Synthetic Cluster Models of Biological and Heterogeneous Manganese Catalysts for O2 Evolution Emily Y. Tsui, Jacob S. Kanady, and Theodor Agapie pp 13833–13848   DOI: 10.1021/ic402236f

Heptanuclear Antiferromagnetic Fe(III)–d-(-)-Quinato Assemblies with an S = 3/2 Ground State—pH-Specific Synthetic Chemistry, Spectroscopic, Structural, and Magnetic Susceptibility Studies M. Menelaou, E. Vournari, V. Psycharis, C. P. Raptopoulou, A. Terzis, V. Tangoulis, Y. Sanakis, C. Mateescu, and A. Salifoglou pp 13849–13860   DOI: 10.1021/ic401036e   Supporting Info

Ion-Exchange Synthesis, Crystal Structure, and Physical Properties of Hydrogen Titanium Oxide H2Ti3O7 Kunimitsu Kataoka, Norihito Kijima, and Junji Akimoto pp 13861–13864   DOI: 10.1021/ic401144k   Supporting Info

Synthesis and Characterization of Terpyridine-Supported Boron Cations: Evidence for Pentacoordination at Boron Gregory P. McGovern, Di Zhu, Adelia J. A. Aquino, Dragoslav Vidović, and Michael Findlater pp 13865–13868   DOI: 10.1021/ic401486y   Supporting Info

New Layered-Type Quaternary Chalcogenides, Tl2PbMQ4 (M = Zr, Hf; Q = S, Se): Structure, Electronic Structure, and Electrical Transport Properties Cheriyedath Raj Sankar, Abdeljalil Assoud, and Holger Kleinke pp 13869–13874   DOI: 10.1021/ic4025316   Supporting Info

Na2CaSn2Ge3O12: A Novel Host Lattice for Sm3+-Doped Long-Persistent Phosphorescence Materials Emitting Reddish Orange Light Jiao Xu, Zhenghua Ju, Xiuping Gao, Yanqing An, Xiaoliang Tang, and Weisheng Liu pp 13875–13881   DOI: 10.1021/ic401262w   Supporting Info

Metal–Ligand Synergistic Effects in the Complex Ni(η2-TEMPO)2: Synthesis, Structures, and Reactivity Derek Isrow, Nathan J. DeYonker, Anjaneyulu Koppaka, Perry J. Pellechia, Charles Edwin Webster, and Burjor Captain pp 13882–13893   DOI: 10.1021/ic401296f   Supporting Info

Self-Assembled Tetra- and Pentanuclear Nickel(II) Aggregates From Phenoxido-Based Ligand -Bound {Ni2} Fragments: Carboxylate Bridge Controlled Structures Aloke Kumar Ghosh, Michael Shatruk, Valerio Bertolasi, Kausikisankar Pramanik, and Debashis Ray pp 13894–13903   DOI: 10.1021/ic401337q   Supporting Info

Water-Catalyzed Activation of H2O2 by Methyltrioxorhenium: A Combined Computational–Experimental Study Taeho Hwang, Bryan R. Goldsmith, Baron Peters, and Susannah L. Scott pp 13904–13917   DOI: 10.1021/ic401343m   Supporting Info

Formation Pathway of Roussin’s Red Ester (RRE) via the Reaction of a {Fe(NO)2}10 Dinitrosyliron Complex (DNIC) and Thiol: Facile Synthetic Route for Synthesizing Cysteine-Containing DNIC Chung-Yen Lu and Wen-Feng Liaw pp 13918–13926   DOI: 10.1021/ic402364p   Supporting Info

Revised Coordination Model and Stability Constants of Cu(II) Complexes of Tris Buffer Justyna Nagaj, Kamila Stokowa-Sołtys, Ewa Kurowska, Tomasz Frączyk, Małgorzata Jeżowska-Bojczuk, and Wojciech Bal pp 13927–13933   DOI: 10.1021/ic401451s   Supporting Info

Mononuclear Coordination Complexes of Fullerene C60 with Zerovalent Cobalt Having S = 1/2 Spin State: Co(η2-C60)(L)(C6H5CN)·(o-C6H4Cl2) (L = 1,2-bis(diphenylphosphino)ethane and 1,1′-bis(diphenylphosphino)ferrocene) Dmitri V. Konarev, Salavat S. Khasanov, Sergey I. Troyanov, Yoshiaki Nakano, Ksenya A. Ustimenko, Akihiro Otsuka, Hideki Yamochi, Gunzi Saito, and Rimma N. Lyubovskaya pp 13934–13940   DOI: 10.1021/ic401577m   Supporting Info

Ru(II) and Os(II) Complexes Based on Terpyridyl-Imidazole Ligand Rigidly Linked to Pyrene: Synthesis, Structure, Photophysics, Electrochemistry, and Anion-Sensing Studies Dinesh Maity, Chanchal Bhaumik, Debiprasad Mondal, and Sujoy Baitalik pp 13941–13955   DOI: 10.1021/ic401582m   Supporting Info

X-ray Magnetic Circular Dichroism Investigation of the Electron Transfer Phenomena Responsible for Magnetic Switching in a Cyanide-Bridged [CoFe] Chain Michael L. Baker, Yasutaka Kitagawa, Tetsuya Nakamura, Kou Tazoe, Yasuo Narumi, Yoshinori Kotani, Fumichika Iijima, Graham N. Newton, Mitsutaka Okumura, Hiroki Oshio, and Hiroyuki Nojiri pp 13956–13962   DOI: 10.1021/ic402580n   Supporting Info

Structural, Electrochemical, and Spectroscopic Investigation of Acetate Bridged Dinuclear Tetrakis-Schiff Base Macrocycles of Mn and Zn Subhadeep Kal, Alexander S. Filatov, and Peter H. Dinolfo pp 13963–13973   DOI: 10.1021/ic401631e   Supporting Info

New Lithium Copper Borates with BO3 Triangles: Li6CuB4O10, Li3CuB3O7, Li8Cu7B14O32, and Li2Cu9B12O28 N. V. Kuratieva, M. Bànki, A. A. Tsirlin, J. Eckert, H. Ehrenberg, and D. Mikhailova pp 13974–13983   DOI: 10.1021/ic4015724   Supporting Info

DNA/Protein Binding, Molecular Docking, and in Vitro Anticancer Activity of Some Thioether-Dipyrrinato Complexes Rakesh Kumar Gupta, Gunjan Sharma, Rampal Pandey, Amit Kumar, Biplob Koch, Pei-Zhou Li, Qiang Xu, and Daya Shankar Pandey pp 13984–13996   DOI: 10.1021/ic401662d   Supporting Info

Phosphonium Chloromercurate Room Temperature Ionic Liquids of Variable Composition Andreas Metlen, Bert Mallick, Richard W. Murphy, Anja-Verena Mudring, and Robin D. Rogers pp 13997–14009   DOI: 10.1021/ic401676r   Supporting Info

Intercalation of Azamacrocyclic Crown Ether into Layered Rare-Earth Hydroxide (LRH): Secondary Host–Guest Reaction and Efficient Heavy Metal Removal Weili Li, Qingyang Gu, Feifei Su, Yahong Sun, Genban Sun, Shulan Ma, and Xiaojing Yang pp 14010–14017   DOI: 10.1021/ic4017307   Supporting Info

Solvent or Temperature Induced Diverse Coordination Polymers of Silver(I) Sulfate and Bipyrazole Systems: Syntheses, Crystal Structures, Luminescence, and Sorption Properties Li-Yun Du, Wen-Juan Shi, Lei Hou, Yao-Yu Wang, Qi-Zhen Shi, and Zhonghua Zhu pp 14018–14027   DOI: 10.1021/ic401765r   Supporting Info

Fabrication of Porous Cubic Architecture of ZnO Using Zn-terephthalate MOFs with Characteristic Microstructures Yu Kimitsuka, Eiji Hosono, Shintaro Ueno, Haoshen Zhou, and Shinobu Fujihara pp 14028–14033   DOI: 10.1021/ic4017849   Supporting Info

Controlled Assembly of Inorganic–Organic Frameworks Based on [SeMo6O21]4– Polyanion Donghui Yang, Suzhi Li, Pengtao Ma, Jingping Wang, and Jingyang Niu pp 14034–14039   DOI: 10.1021/ic401804e   Supporting Info

Redox Noninnocence in Coordinated 2-(Arylazo)pyridines: Steric Control of Ligand-Based Redox Processes in Cobalt Complexes Pradip Ghosh, Subhas Samanta, Suman K Roy, Sucheta Joy, Tobias Krämer, John E. McGrady, and Sreebrata Goswami pp 14040–14049   DOI: 10.1021/ic4018079   Supporting Info

Structural and Electronic Properties of Old and New A2[M(pinF)2] Complexes Laleh Tahsini, Sarah E. Specht, June S. Lum, Joshua J. M. Nelson, Alexandra F. Long, James A. Golen, Arnold L. Rheingold, and Linda H. Doerrer pp 14050–14063   DOI: 10.1021/ic401837y   Supporting Info

Zwitterionic Weak-Link Approach Complexes Based on Anionic Icosahedral Monocarbaboranes Robert D. Kennedy, Charlotte L. Stern, and Chad A. Mirkin pp 14064–14071   DOI: 10.1021/ic401851z   Supporting Info

Density Functional Study for the Bridged Dinuclear Center Based on a High-Resolution X-ray Crystal Structure of ba3 Cytochrome c Oxidase from Thermus thermophilus Wen-Ge Han Du and Louis Noodleman pp 14072–14088   DOI: 10.1021/ic401858s   Supporting Info

Coordination of Lead(II) in the Supramolecular Environment Provided by a “Two-Story” Calix[6]arene-based N6 Ligand Diana Over, Xianshun Zeng, Claudia Bornholdt, Jérôme Marrot, and Olivia Reinaud pp 14089–14095   DOI: 10.1021/ic4018486   Supporting Info

Highly Stable Hexacoordinated Nonoxidovanadium(IV) Complexes of Sterically Constrained Ligands: Syntheses, Structure, and Study of Antiproliferative and Insulin Mimetic Activity Subhashree P. Dash, Sagarika Pasayat, Saswati Bhakat, Satabdi Roy, Rupam Dinda, Edward R. T. Tiekink, Subhadip Mukhopadhyay, Sujit K. Bhutia, Manasi R. Hardikar, Bimba N. Joshi, Yogesh P. Patil, and M. Nethaji pp 14096–14107   DOI: 10.1021/ic401866x   Supporting Info

High-Pressure Synthesis, Crystal Structure, and Properties of In2NiMnO6 with Antiferromagnetic Order and Field-Induced Phase Transition Wei Yi, Qifeng Liang, Yoshitaka Matsushita, Masahiko Tanaka, and Alexei A. Belik pp 14108–14115   DOI: 10.1021/ic401917h   Supporting Info

Heterobimetallic Complexes of Polypyridyl Ligands Containing Paramagnetic Centers: Synthesis and Characterization by IR and EPR Sarah K. Goforth, Richard C. Walroth, Joseph A. Brannaka, Alexander Angerhofer, and Lisa McElwee-White pp 14116–14123   DOI: 10.1021/ic401952s   Supporting Info

Solventless Supramolecular Chemistry via Vapor Diffusion of Volatile Small Molecules upon a New Trinuclear Silver(I)-Nitrated Pyrazolate Macrometallocyclic Solid: An Experimental/Theoretical Investigation of the Dipole/Quadrupole Chemisorption Phenomena Rossana Galassi, Simone Ricci, Alfredo Burini, Alceo Macchioni, Luca Rocchigiani, Fabio Marmottini, Sammer M. Tekarli, Vladimir N. Nesterov, and Mohammad A. Omary pp 14124–14137   DOI: 10.1021/ic401948p   Supporting Info

Structural and Vibrational Properties of U(VI)O2Cl42- and Pu(VI)O2Cl42- Complexes David D. Schnaars and Richard E. Wilson pp 14138–14147   DOI: 10.1021/ic401991n   Supporting Info

Pressure-Induced Local Lattice Distortions in α-Co[N(CN)2]2 J. L. Musfeldt, T. V. Brinzari, J. A. Schlueter, J. L. Manson, A. P. Litvinchuk, and Z. Liu pp 14148–14154   DOI: 10.1021/ic402010h

Graphite Oxide/Metal–Organic Framework (MIL-101): Remarkable Performance in the Adsorptive Denitrogenation of Model Fuels Imteaz Ahmed, Nazmul Abedin Khan, and Sung Hwa Jhung pp 14155–14161   DOI: 10.1021/ic402012d   Supporting Info

Synthesis and Properties of Uranium Sulfide Cations. An Evaluation of the Stability of Thiouranyl, {S═U═S}2+ Cláudia C. L. Pereira, Maria del Carmen Michelini, Joaquim Marçalo, Yu Gong, and John K. Gibson pp 14162–14167   DOI: 10.1021/ic4020493   Supporting Info

Ammonium Tetrathiomolybdate: A Versatile Catalyst for Hydrogen Evolution Reaction from Water under Ambient and Hostile Conditions Sudipta Chatterjee, Kushal Sengupta, Subal Dey, and Abhishek Dey pp 14168–14177   DOI: 10.1021/ic402056k   Supporting Info

Characterization of an Intermediate in the Ammonia-Forming Reaction of Fe(DMeOPrPE)2N2 with Acid (DMeOPrPE = 1,2-[bis(dimethoxypropyl)phosphino]ethane) Chantal G. Balesdent, Justin L. Crossland, Daniel T. Regan, Coralys T. López, and David R. Tyler pp 14178–14187   DOI: 10.1021/ic402081q   Supporting Info

In Situ High-Temperature Crystallographic Evolution of a Nonstoichiometric Li2O·2SiO2 Glass Saifang Huang, Zhaohui Huang, Wei Gao, and Peng Cao pp 14188–14195   DOI: 10.1021/ic402112z

XRD Monitoring of α Self-Irradiation in Uranium–Americium Mixed Oxides Denis Horlait, Florent Lebreton, Pascal Roussel, and Thibaud Delahaye pp 14196–14204   DOI: 10.1021/ic402124s

Theoretical 57Fe Mössbauer Spectroscopy for Structure Elucidation of [Fe] Hydrogenase Active Site Intermediates Joël Gubler, Arndt R. Finkelmann, and Markus Reiher pp 14205–14215   DOI: 10.1021/ic4021349   Supporting Info

Synthesis and Characterization of the Titanium Bisamide Ti{N(H)AriPr6}2 (AriPr6 = C6H3-2,6-(C6H2-2,4,6-iPr3)2 and Its TiCl{N(H)AriPr6}2 Precursor: Ti(II) → Ti(IV) Cyclization Jessica N. Boynton, Jing-Dong Guo, Fernande Grandjean, James C. Fettinger, Shigeru Nagase, Gary J. Long, and Philip P. Power pp 14216–14223   DOI: 10.1021/ic4021355   Supporting Info

VSb(SeO3)4, First Selenite Containing V3+ Cation: Synthesis, Structure, Characterization, Magnetic Properties, and Calculations Yiseul Shin, Dong Woo Lee, Kwang Yong Choi, Hyun-Joo Koo, and Kang Min Ok pp 14224–14230   DOI: 10.1021/ic4021564   Supporting Info

Intramolecular Phosphorus–Phosphorus Bond Formation within a Co2P4 Core Tianshu Li, Nicholas Arleth, Michael T. Gamer, Ralf Köppe, Timo Augenstein, Fabian Dielmann, Manfred Scheer, Sergey N. Konchenko, and Peter W. Roesky pp 14231–14236   DOI: 10.1021/ic402159y   Supporting Info

Oxidation States, Geometries, and Electronic Structures of Plutonium Tetroxide PuO4 Isomers: Is Octavalent Pu Viable? Wei Huang, Wen-Hua Xu, Jing Su, W. H. E. Schwarz, and Jun Li pp 14237–14245   DOI: 10.1021/ic402170q   Supporting Info

Electronic, Optical, and Computational Studies of a Redox-Active Napthalenediimide-Based Coordination Polymer Chanel F. Leong, Bun Chan, Thomas B. Faust, Peter Turner, and Deanna M. D’Alessandro pp 14246–14252   DOI: 10.1021/ic402173z   Supporting Info

Metal–Metal Interaction in Fischer Carbene Complexes: A Study of Ferrocenyl and Biferrocenyl Tungsten Alkylidene Complexes Belinda van der Westhuizen, J. Matthäus Speck, Marcus Korb, Joachim Friedrich, Daniela I. Bezuidenhout, and Heinrich Lang pp 14253–14263   DOI: 10.1021/ic402202w   Supporting Info

pH-Responsive Lanthanide Complexes Based on Reversible Ligation of a Diphenylphosphinamide Marco Giardiello, Mauro Botta, and Mark P. Lowe pp 14264–14269   DOI: 10.1021/ic402205j   Supporting Info

Crystal Structure and Cyclic Hydrogenation Property of Pr4MgNi19 Kenji Iwase, Naoyoshi Terashita, Kazuhiro Mori, Hitoshi Yokota, and Tetsuya Suzuki pp 14270–14274   DOI: 10.1021/ic402213s   Supporting Info

Clusters [Ma(GaCp*)b(CNR)c] (M = Ni, Pd, Pt): Synthesis, Structure, and Ga/Zn Exchange Reactions Mariusz Molon, Katharina Dilchert, Christian Gemel, Rüdiger W. Seidel, Julian Schaumann, and Roland A. Fischer pp 14275–14283   DOI: 10.1021/ic4022189   Supporting Info

Lanthanide(III) Complexes of Rhodamine–DO3A Conjugates as Agents for Dual-Modal Imaging Charlotte Rivas, Graeme J. Stasiuk, Juan Gallo, Florencia Minuzzi, Guy A. Rutter, and Nicholas J. Long pp 14284–14293   DOI: 10.1021/ic402233g   Supporting Info

Exchanging Conformations of a Hydroformylation Catalyst Structurally Characterized Using Two-Dimensional Vibrational Spectroscopy Matthijs R. Panman, Jannie Vos, Vladica Bocokić, Rosalba Bellini, Bas de Bruin, Joost H. N. Reek, and Sander Woutersen pp 14294–14298   DOI: 10.1021/ic402254q   Supporting Info

Ba4Ta2O9 Oxide Prepared from an Oxalate-Based Molecular Precursor—Characterization and Properties Lidija Androš, Marijana Jurić, Jasminka Popović, Ana Šantić, Predrag Lazić, Metka Benčina, Matjaz Valant, Nevenka Brničević, and Pavica Planinić pp 14299–14308   DOI: 10.1021/ic402276e   Supporting Info

Synthetic and Coordination Chemistry of the Heavier Trivalent Technetium Binary Halides: Uncovering Technetium Triiodide Erik V. Johnstone, Frederic Poineau, Jenna Starkey, Thomas Hartmann, Paul M. Forster, Longzhou Ma, Jeremy Hilgar, Efrain E. Rodriguez, Romina Farmand, Kenneth R. Czerwinski, and Alfred P. Sattelberger pp 14309–14316   DOI: 10.1021/ic402278c   Supporting Info

Selective 4e–/4H+ O2 Reduction by an Iron(tetraferrocenyl)Porphyrin Complex: From Proton Transfer Followed by Electron Transfer in Organic Solvent to Proton Coupled Electron Transfer in Aqueous Medium Kaustuv Mittra, Sudipta Chatterjee, Subhra Samanta, and Abhishek Dey pp 14317–14325   DOI: 10.1021/ic402297f   Supporting Info

Solution-Based Synthesis of GeTe Octahedra at Low Temperature Stephan Schulz, Stefan Heimann, Kevin Kaiser, Oleg Prymak, Wilfried Assenmacher, Jörg Thomas Brüggemann, Bert Mallick, and Anja-Verena Mudring pp 14326–14333   DOI: 10.1021/ic402266j   Supporting Info

Kinetic and DFT Studies on the Mechanism of C–S Bond Formation by Alkyne Addition to the [Mo3S4(H2O)9]4+ Cluster Jose Ángel Pino-Chamorro, Andrés G. Algarra, M. Jesús Fernández-Trujillo, Rita Hernández-Molina, and Manuel G. Basallote pp 14334–14342   DOI: 10.1021/ic4023344   Supporting Info

Heteroleptic Silver(I) Complexes Prepared from Phenanthroline and Bis-phosphine Ligands Adrien Kaeser, Béatrice Delavaux-Nicot, Carine Duhayon, Yannick Coppel, and Jean-François Nierengarten pp 14343–14354   DOI: 10.1021/ic402342y   Supporting Info

Extremely Long Cu···O Contact as a Possible Pathway for Magnetic Interactions in Na2Cu(CO3)2 Yulia V. Nelyubina, Alexander A. Korlyukov, Ivan V. Fedyanin, and Konstantin A. Lyssenko pp 14355–14363   DOI: 10.1021/ic4024025   Supporting Info

Synthesis, Crystal Structure, and High Temperature Transport Properties of p-Type Cu2Zn1–xFexSnSe4 Yongkwan Dong, Hsin Wang, and George S. Nolas pp 14364–14367   DOI: 10.1021/ic402455x   Supporting Info

Synthesis, Structures, and Luminescence Properties of Interconvertible AuI2ZnII and AuI3ZnII Complexes with Mixed Bis(diphenylphosphino)methane and d-Penicillaminate Yuji Hashimoto, Nobuto Yoshinari, Daisuke Naruse, Koichi Nozaki, and Takumi Konno pp 14368–14375   DOI: 10.1021/ic4024629   Supporting Info

Nonelectrochemical Synthesis, Crystal Structure, and Physical Properties of the Radical Salt [ET]2[CuCl4] (ET = Bis(ethylenedithio)tetrathiafulvalene) Bárbara Rodríguez-García, Sara Goberna-Ferrón, Yong-Sung Koo, Jordi Benet-Buchholz, and José Ramón Galán-Mascarós pp 14376–14381   DOI: 10.1021/ic402478h   Supporting Info

Lanthanide Complexes Based on β-Diketonates and a Tetradentate Chromophore Highly Luminescent as Powders and in Polymers Eugen S. Andreiadis, Nicolas Gauthier, Daniel Imbert, Renaud Demadrille, Jacques Pécaut, and Marinella Mazzanti pp 14382–14390   DOI: 10.1021/ic402523v   Supporting Info

Thermochemical and Mechanistic Studies of Electrocatalytic Hydrogen Production by Cobalt Complexes Containing Pendant Amines Eric S. Wiedner, Aaron M. Appel, Daniel L. DuBois, and R. Morris Bullock pp 14391–14403   DOI: 10.1021/ic4025475   Supporting Info

Phenylcyanamide Ligand Control of Photo-Induced Linkage Isomerism Mohommad M. R. Choudhuri and Robert J. Crutchley pp 14404–14410   DOI: 10.1021/ic402600h   Supporting Info

Hybrid Nanomaterials: Anchoring Magnetic Molecules on Naked Gold Nanocrystals Rebecca J. Holmberg, Amy-Jayne Hutchings, Fatemah Habib, Ilia Korobkov, Juan C. Scaiano, and Muralee Murugesu pp 14411–14418   DOI: 10.1021/ic4026975   Supporting Info

Diversity of Microstructural Phenomena in Superconducting and Non-superconducting RbxFe2–ySe2: A Transmission Electron Microscopy Study at the Atomic Scale Maria V. Roslova, Oleg I. Lebedev, Igor V. Morozov, Saicharan Aswartham, Sabine Wurmehl, Bernd Büchner, and Andrei V. Shevelkov pp 14419–14427   DOI: 10.1021/ic402710r

Structural and Spectroscopic Investigation of an Anilinosalen Cobalt Complex with Relevance to Hydrogen Production Amélie Kochem, Fabrice Thomas, Olivier Jarjayes, Gisèle Gellon, Christian Philouze, Thomas Weyhermüller, Frank Neese, and Maurice van Gastel pp 14428–14438   DOI: 10.1021/ic402818g   Supporting Info

From Sequential to One-Pot Synthesis of Dipyrrin Based Grid-Type Mixed Metal–Organic Frameworks Antoine Béziau, Stéphane A. Baudron, Audrey Fluck, and Mir Wais Hosseini pp 14439–14448   DOI: 10.1021/ic402892f   Supporting Info

Correction to Elucidating Band-Selective Sensitization in Iron(II) Polypyridine-TiO2 Assemblies David N. Bowman, James H. Blew, Takashi Tsuchiya, and Elena Jakubikova pp 14449–14449   DOI: 10.1021/ic402856j   Supporting Info