Volume 50
Main Index

Issue 01

Inorganic Chemistry, Volume 50: A Golden Year Richard Eisenberg pp 1–3 DOI: 10.1021/ic102409e

Chiral Recognition of α-Amino Acids by an Optically Active (2S,5S,8S,11S)-2,5,8,11-Tetraethyl Cyclen Cobalt(III) Complex Shohei Tashiro, Yasuyo Ogura, Sei Tsuboyama, Kaoru Tsuboyama, and Mitsuhiko Shionoya pp 4–6 DOI: 10.1021/ic101760k Supporting Info

Changing the Role of 2,2′-Bipyridine from Secondary Ligand to Protagonist in [Ru(bpy)2(N−N)]2+ Complexes: Low-Energy, Red Emission from a Ruthenium(II)-to-2,2′-Bipyridine 3MLCT State Samik Nag, Janaina G. Ferreira, Ludwig Chenneberg, Philippe Dauphin Ducharme, Garry S. Hanan, Giuseppina La Ganga, Scolastica Serroni, and Sebastiano Campagna pp 7–9 DOI: 10.1021/ic101986a Supporting Info

New Oxides Showing an Intense Blue Color Based on Mn3+ in Trigonal-Bipyramidal Coordination Hiroshi Mizoguchi, Arthur W. Sleight, and M. A. Subramanian pp 10–12 DOI: 10.1021/ic102133z Supporting Info

Redox Behavior of Rhodium 9,10-Phenanthrenediimine Complexes David W. Shaffer, Scott A. Ryken, Ryan A. Zarkesh, and Alan F. Heyduk pp 13–21 DOI: 10.1021/ic1007632 Supporting Info

Computational Insight into the Rh-Mediated Activation of White Phosphorus Wolfgang W. Schoeller pp 22–29 DOI: 10.1021/ic100803m Supporting Info

New Titanium Complexes with Symmetric or Asymmetric cis-9,10-Dihydrophenanthrenediamide Ligands Formed through Sequential Intramolecular C−C Bond-Forming Reactions Dapeng Zhao, Bo Gao, Wei Gao, Xuyang Luo, Duihai Tang, Ying Mu, and Ling Ye pp 30–36 DOI: 10.1021/ic1008768 Supporting Info

Novel Thiophene-Based Cycloruthenated Compounds: Synthesis, Characterization, and Reactivity Luciano Cuesta, Irene Maluenda, Tatiana Soler, Rafael Navarro, and Esteban P. Urriolabeitia pp 37–45 DOI: 10.1021/ic101946n Supporting Info

Synthesis, Structural Characterization, and Photophysical, Electrochemical, Intercomponent Energy-Transfer, and Anion-Sensing Studies of Imidazole 4,5-Bis(benzimidazole)-Bridged OsIIOsII and RuIIOsII Bipyridine Complexes Debasish Saha, Shyamal Das, Dinesh Maity, Supriya Dutta, and Sujoy Baitalik pp 46–61 DOI: 10.1021/ic100905u Supporting Info

Borylene-Based Functionalization of Iron-Alkynyl-σ-Complexes and Stepwise Reversible Metal-Boryl-to-Borirene Transformation: Synthesis, Characterization, and Density Functional Theory Studies Holger Braunschweig, Qing Ye, Krzysztof Radacki, and Peter Brenner, Gernot Frenking and Susmita De pp 62–71 DOI: 10.1021/ic1010874 Supporting Info

Zn(II) Complexes of Glutathione Disulfide: Structural Basis of Elevated Stabilities Artur Krȩżel, Jacek Wójcik, Maciej Maciejczyk, and Wojciech Bal pp 72–85 DOI: 10.1021/ic101212y Supporting Info

Single Crystal X-Ray Structure of BeF2: α-Quartz Pallavi Ghalsasi and Prasanna S. Ghalsasi pp 86–89 DOI: 10.1021/ic101248g Supporting Info

Real-Space Indicators for Chemical Bonding. Experimental and Theoretical Electron Density Studies of Four Deltahedral Boranes Stefan Mebs, Roman Kalinowski, Simon Grabowsky, Diana Förster, Rainer Kickbusch, Eugen Justus, Wolfgang Morgenroth, Carsten Paulmann, Peter Luger, Detlef Gabel, and Dieter Lentz pp 90–103 DOI: 10.1021/ic1013158 Supporting Info

Structures of Pd(CN)2 and Pt(CN)2: Intrinsically Nanocrystalline Materials? Simon J. Hibble, Ann M. Chippindale, Edward J. Bilbé, Elena Marelli, Peter J. F. Harris, and Alex C. Hannon pp 104–113 DOI: 10.1021/ic101358q Supporting Info

How Do Nitriles Compare with Isoelectronic Alkynyl Groups in the Electronic Communication between Iron Centers Bridged by Phenylenebis- and -tris(nitrile) Ligands? An Electronic and Crystal-Structure Study Lauréline Bonniard, Samia Kahlal, Abdou K. Diallo, Cátia Ornelas, Thierry Roisnel, Gabriele Manca, João Rodrigues, Jaime Ruiz, Didier Astruc, and Jean-Yves Saillard pp 114–124 DOI: 10.1021/ic101415c Supporting Info

Steric and Electronic Consequences of Flexibility in a Tetradentate Redox-Active Ligand: Ti(IV) and Zr(IV) Complexes Géza Szigethy and Alan F. Heyduk pp 125–135 DOI: 10.1021/ic101468p Supporting Info

Extended Polyoxometalate Framework Solids: Two Mn(II)-Linked {P8W48} Network Arrays Scott G. Mitchell, Thomas Boyd, Haralampos N. Miras, De-Liang Long, and Leroy Cronin pp 136–143 DOI: 10.1021/ic101472s Supporting Info

Hydrothermal Synthesis, Structures and Magnetic Studies of Transition Metal Sulfates Containing Hydrazine Li-Hui Jia, Ru-Yin Li, Zhi-Ming Duan, Shang-Da Jiang, Bing-Wu Wang, Zhe-Ming Wang, and Song Gao pp 144–154 DOI: 10.1021/ic101488k Supporting Info

Molecular and Electronic Structures of Dinuclear Iron Complexes Incorporating Strongly Electron-Donating Ligands: Implications for the Generation of the One- and Two-Electron Oxidized Forms Julia B. H. Strautmann, Carl-Georg Freiherr von Richthofen, Gabriele Heinze-Brückner, Serena DeBeer, Eberhard Bothe, Eckhard Bill, Thomas Weyhermüller, Anja Stammler, Hartmut Bögge, and Thorsten Glaser pp 155–171 DOI: 10.1021/ic101535y Supporting Info

Impact of Metal-Ion Dependence on the Porous and Electronic Properties of TCNQ-Dianion-Based Porous Coordination Polymers Satoru Shimomura, Nobuhiro Yanai, Ryotaro Matsuda, and Susumu Kitagawa pp 172–177 DOI: 10.1021/ic1015498 Supporting Info

Electronic Dimensions of FeMo-co, the Active Site of Nitrogenase, and Its Catalytic Intermediates Ian Dance pp 178–192 DOI: 10.1021/ic1015884 Supporting Info

Investigation of the Formation of CuInS2 Nanoparticles by the Oleylamine Route: Comparison of Microwave-Assisted and Conventional Syntheses Andreas Pein, Mostafa Baghbanzadeh, Thomas Rath, Wernfried Haas, Eugen Maier, Heinz Amenitsch, Ferdinand Hofer, C. Oliver Kappe, and Gregor Trimmel pp 193–200 DOI: 10.1021/ic101651p Supporting Info

Investigation of the GeO2-1,6-Diaminohexane-Water-Pyridine-HF Phase Diagram Leading to the Discovery of Two Novel Layered Germanates with Extra-Large Rings Bing Guo, Andrew K. Inge, Charlotte Bonneau, Junliang Sun, Kirsten E. Christensen, Zhong-Yong Yuan, and Xiaodong Zou pp 201–207 DOI: 10.1021/ic1017505 Supporting Info

Anionic Gallium-Based Metal−Organic Framework and Its Sorption and Ion-Exchange Properties Debasis Banerjee, Sun Jin Kim, Haohan Wu, Wenqian Xu, Lauren A. Borkowski, Jing Li, and John B. Parise pp 208–212 DOI: 10.1021/ic101789u Supporting Info

Synthesis, Crystal Structure, and Electron Paramagnetic Resonance Investigations of Heteronuclear CoII/ZnII and CoII/CdII Coordination Polymers Daniel Lässig, Jörg Lincke, Jan Griebel, Reinhard Kirmse, and Harald Krautscheid pp 213–219 DOI: 10.1021/ic101783z Supporting Info

Trifluoracetic Acid-Assisted Crystallization of Vitamin B12 Results in Protonation of the Phosphate Group of the Nucleotide Loop: Insight into the Influence of Crystal Packing Forces on Vitamin B12 Structures Nadia Marino, Amy E. Rabideau, and Robert P. Doyle pp 220–230 DOI: 10.1021/ic101810v Supporting Info

Changes in Electronic Properties of Polymeric One-Dimensional {[M(CN)2]−}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 231–237 DOI: 10.1021/ic101841a Supporting Info

Synthesis, Structure, and Bonding of BaTl4. Size Effects on Encapsulation of Cations in Electron-Poor Metal Networks. Jing-Cao Dai, Shalabh Gupta, and John D. Corbett pp 238–244 DOI: 10.1021/ic1018828 Supporting Info

Crystal Structures, Electronic Structures, and Physical Properties of Tl4MQ4 (M = Zr or Hf; Q = S or Se) Cheriyedath Raj Sankar, Savitree Bangarigadu-Sanasy, Abdeljalil Assoud, and Holger Kleinke pp 245–249 DOI: 10.1021/ic101925a Supporting Info

Ring-Closing Metathesis Reactions of Terminal Alkene-Derived Cyclic Phosphazenes Dheeraj Kumar, Nem Singh, Karunesh Keshav, and Anil J. Elias pp 250–260 DOI: 10.1021/ic101884s Supporting Info

Trinuclear-based Copper(I) Pyrazolate Polymers: Effect of Trimer π-Acid···Halide/Pseudohalide Interactions on the Supramolecular Structure and Phosphorescence Lei Hou, Wen-Juan Shi, Yao-Yu Wang, Hai-Hua Wang, Lin Cui, Peng-Xiang Chen, and Qi-Zhen Shi pp 261–270 DOI: 10.1021/ic101901w Supporting Info

Synthetic and Mechanistic Pathways of Cis and Trans-Hydroxytamoxifen Drug Derivatives Reacting with Cp*Rh Complexes that involve η1-N, η2-N,O, η1-O, and η6 Bonding Modes, via a Novel N-π Rearrangement; Relative Binding Affinities and Computer Docking Studies of Cis and Trans-η6-Cp*Rh-Hydroxytamoxifen Complexes at the Estrogen, ERα and ERβ Receptors, and Growth Inhibition to Breast Cancer Cells Siden Top, Irena Efremenko, Marie Noelle Rager, Anne Vessières, Paul Yaswen, Gérard Jaouen, and Richard H. Fish pp 271–284 DOI: 10.1021/ic1019372 Supporting Info

Synthesis, Dynamic Behavior, and Reactivity of New Unsaturated Heterotrinuclear 46 Valence Electron Complexes† Polynuclear Homo- or Heterometallic Palladium(II)−Platinum(II) Pentafluorophenyl Complexes Containing Bridging Diphenylphosphido Ligands. 27. For part 26, see ref 1. Juan Forniés, Consuelo Fortuño, Susana Ibáñez, Antonio Martín, and Pilar Romero, Piero Mastrorilli and Vito Gallo pp 285–298 DOI: 10.1021/ic101934t Supporting Info

Water versus Acetonitrile Coordination to Uranyl. Density Functional Study of Cooperative Polarization Effects in Solution Michael Bühl, Nicolas Sieffert, Alain Chaumont, and Georges Wipff pp 299–308 DOI: 10.1021/ic101950d Supporting Info

Flexible Mixed-Spin Kagomé Coordination Polymers with Reversible Magnetism Triggered by Dehydration and Rehydration Wei-Xiong Zhang, Wei Xue, and Xiao-Ming Chen pp 309–316 DOI: 10.1021/ic101948q Supporting Info

Dye-Tethered Ruthenium Nitrosyls Containing Planar Dicarboxamide Tetradentate N4 Ligands: Effects of In-Plane Ligand Twist on NO Photolability Nicole L. Fry, Brandon J. Heilman, and Pradip K. Mascharak pp 317–324 DOI: 10.1021/ic1019873 Supporting Info

Oligonuclear Gallium Nitrogen Cage Compounds: Molecular Intermediates on the Way from Gallium Hydrazides to Gallium Nitride Werner Uhl, Thomas Abel, Elke Hagemeier, Alexander Hepp, Marcus Layh, Babak Rezaeirad, and Heinrich Luftmann pp 325–335 DOI: 10.1021/ic1019839 Supporting Info

Synthesis and Reactivity of the Phosphinoboranes R2PB(C6F5)2 Stephen J. Geier, Thomas M. Gilbert, and Douglas W. Stephan pp 336–344 DOI: 10.1021/ic102003x Supporting Info

Covalent Lanthanide Chemistry Near the Limit of Weak Bonding: Observation of (CpSiMe3)3Ce−ECp* and a Comprehensive Density Functional Theory Analysis of Cp3Ln−ECp (E = Al, Ga) Jamin L. Krinsky, Stefan G. Minasian, and John Arnold pp 345–357 DOI: 10.1021/ic102028d Supporting Info

Neutral Pentacoordinate Silicon Fluorides Derived from Amidinate, Guanidinate, and Triazapentadienate Ligands and Base-Induced Disproportionation of Si2Cl6 to Stable Silylenes Rajendra S. Ghadwal, Kevin Pröpper, Birger Dittrich, Peter G. Jones, and Herbert W. Roesky pp 358–364 DOI: 10.1021/ic1020548 Supporting Info

Ditopic Complexation of Selenite Anions or Calcium Cations by Pirenoxine: An Implication for Anti-Cataractogenesis Jiahn-Haur Liao, Chien-Sheng Chen, Chao-Chien Hu, Wei-Ting Chen, Shao-Pin Wang, I-Lin Lin, Yi-Han Huang, Ming-Hsuan Tsai, Tzu-Hua Wu, Fu-Yung Huang, and Shih-Hsiung Wu pp 365–377 DOI: 10.1021/ic102151p Supporting Info

Pyrophosphate-Mediated Magnetic Interactions in Cu(II) Coordination Complexes Nadia Marino, Oluwatayo. F. Ikotun, Miguel Julve, Francesc Lloret, Juan Cano, and Robert P. Doyle pp 378–389 DOI: 10.1021/ic1020884 Supporting Info

FOX-7 (1,1-Diamino-2,2-dinitroethene): Trapped by Copper and Amines Sonali Garg, Haixiang Gao, Damon A. Parrish, and Jean’ne M. Shreeve pp 390–395 DOI: 10.1021/ic102136r Supporting Info

Issue 02

Density Functional Theory Calculations on the Fe2S2(Arg)(SCys)(SSCys)2 Cluster in HydE: Unique Electronic Structure and Redox Properties Abhishek Dey pp 397–399 DOI: 10.1021/ic101854h Supporting Info

Guest-Specific Double- or Single-Step Adsorption in a Flexible Porous Framework Based on a Mixed-Ligand System Prakash Kanoo, R. Sambhu, and Tapas Kumar Maji pp 400–402 DOI: 10.1021/ic101232u Supporting Info

Hydrogen Storage in a Highly Interpenetrated and Partially Fluorinated Metal−Organic Framework Zeric Hulvey, Dorina A. Sava, Juergen Eckert, and Anthony K. Cheetham pp 403–405 DOI: 10.1021/ic101153c Supporting Info

Identification of a Novel η2-Se2 Bonding Mode in Cu(I) Complexes of the Dimeric Selenocarbonyl Dianions, [(EPh2P)2CSeSeC(PPh2E)2]2− (E = S, Se) Maarit Risto, Jari Konu, and Tristram Chivers pp 406–408 DOI: 10.1021/ic101866v Supporting Info

Spectroscopic Characterization of the Molybdenum Cofactor of the Sulfane Dehydrogenase SoxCD from Paracoccus pantotrophus Simon C. Drew, Eduard Reijerse, Armin Quentmeier, Dagmar Rother, Cornelius G. Friedrich, and Wolfgang Lubitz pp 409–411 DOI: 10.1021/ic102201f Supporting Info

Stabilization of Sn2+ in K10Sn3(P2Se6)4 and Cs2SnP2Se6 Derived from a Basic Flux In Chung and Mercouri G. Kanatzidis pp 412–414 DOI: 10.1021/ic101140r Supporting Info

[M(dap)3]InSb3S7 (M = Co, Ni): Two Novel Open-Framework Thioindate−Thioantimonates with 8-, 12-, and 16-Ring Intersecting Channels Jian Zhou, Litao An, and Feng Zhang pp 415–417 DOI: 10.1021/ic101912s Supporting Info

Protonation of the Dinitrogen-Reduction Catalyst [HIPTN3N]MoIII Investigated by ENDOR Spectroscopy R. Adam Kinney, Rebecca L. McNaughton, Jia Min Chin, Richard R. Schrock, and Brian M. Hoffman pp 418–420 DOI: 10.1021/ic102127v Supporting Info

Mn21Dy Cluster with a Record Magnetization Reversal Barrier for a Mixed 3d/4f Single-Molecule Magnet Constantina Papatriantafyllopoulou, Wolfgang Wernsdorfer, Khalil A. Abboud, and George Christou pp 421–423 DOI: 10.1021/ic102378u Supporting Info

Thermally Induced and Photoinduced Valence Tautomerism in a Two-Dimensional Coordination Polymer Bao Li, Li-Qin Chen, Rong-Jia Wei, Jun Tao, Rong-Bin Huang, Lan-Sun Zheng, and Zhiping Zheng pp 424–426 DOI: 10.1021/ic102270h Supporting Info

S K-Edge X-Ray Absorption Spectroscopy and Density Functional Theory Studies of High and Low Spin {FeNO}7 Thiolate Complexes: Exchange Stabilization of Electron Delocalization in {FeNO}7 and {FeO2}8 Ning Sun, Lei V. Liu, Abhishek Dey, Gloria Villar-Acevedo, Julie A. Kovacs, Marcetta Y. Darensbourg, Keith O. Hodgson, Britt Hedman, and Edward I. Solomon pp 427–436 DOI: 10.1021/ic1006378 Supporting Info

Crystal Structures and Magnetic Properties of Nickel Complexes with Hydrotris(pyrazolyl)borate Ligand and Double Bridged by Phosphate Esters Luisa López-Banet, M. Dolores Santana, and Gabriel García , Luis García and José Pérez , Teófilo Rojo and Luis Lezama , Jean-Pierre Costes pp 437–443 DOI: 10.1021/ic100980x Supporting Info

Molecular Conductors with a 8-Hydroxy cobalt Bis(dicarbollide) Anion Olga N. Kazheva, Grigorii G. Alexandrov, Andrey V. Kravchenko, Irina D. Kosenko, Irina A. Lobanova, Igor B. Sivaev, Oleg A. Filippov, Elena S. Shubina, Vladimir I. Bregadze, Vladimir A. Starodub, Lev V. Titov, Lev I. Buravov, and Oleg A. Dyachenko pp 444–450 DOI: 10.1021/ic101168b Supporting Info

Cyclometalated Iridium(III) Complexes Based on Phenyl-Imidazole Ligand Etienne Baranoff, Simona Fantacci, Filippo De Angelis, Xianxi Zhang, Rosario Scopelliti, Michael Grätzel, and Md. Khaja Nazeeruddin pp 451–462 DOI: 10.1021/ic901834v Supporting Info

Redox, Spectroscopic, and Photophysical Properties of Ru−Pt Mixed-Metal Complexes Incorporating 4,7-Diphenyl-1,10-phenanthroline as Efficient DNA Binding and Photocleaving Agents Samantha L. H. Higgins, Travis A. White, Brenda S. J. Winkel, and Karen J. Brewer pp 463–470 DOI: 10.1021/ic100958r

Photochromic Alkynes as Versatile Building Blocks for Metal Alkynyl Systems: Design, Synthesis, and Photochromic Studies of Diarylethene-Containing Platinum(II) Phosphine Alkynyl Complexes Hok-Lai Wong, Chi-Hang Tao, Nianyong Zhu, and Vivian Wing-Wah Yam pp 471–481 DOI: 10.1021/ic101298c Supporting Info

Metal-Binding Loop Length Is a Determinant of the pKa of a Histidine Ligand at a Type 1 Copper Site Chan Li, Katsuko Sato, Stefano Monari, Isabelle Salard, Marco Sola, Mark J. Banfield, and Christopher Dennison pp 482–488 DOI: 10.1021/ic101413e

From Thioxo Cluster to Dithio Cluster: Exploring the Chemistry of Polynuclear Zirconium Complexes with S,O and S,S Ligands Federica Maratini, Luciano Pandolfo, Maria Bendova, Ulrich Schubert, Matthias Bauer, Massimiliano Rocchia, Alfonso Venzo, Eugenio Tondello, and Silvia Gross pp 489–502 DOI: 10.1021/ic1013768 Supporting Info

Binding of a Coordinatively Unsaturated Mercury(II) Thiolate Compound by Carboxylate Anions Xiao-Yan Tang, Ai-Xia Zheng, Hai Shang, Rong-Xin Yuan, Hong-Xi Li, Zhi-Gang Ren, and Jian-Ping Lang pp 503–516 DOI: 10.1021/ic101587h Supporting Info

Mononuclear and Dinuclear Ruthenium Complexes of 2,3-Di-2-pyridyl-5,6-diphenylpyrazine: Synthesis and Spectroscopic and Electrochemical Studies Yu-Wu Zhong, Si-Hai Wu, Stephen E. Burkhardt, Chang-Jiang Yao, and Héctor D. Abruña pp 517–524 DOI: 10.1021/ic101629w Supporting Info

Chemistry and Catalytic Activity of Molybdenum(VI)-Pyrazolylpyridine Complexes in Olefin Epoxidation. Crystal Structures of Monomeric Dioxo, Dioxo-μ-oxo, and Oxodiperoxo Derivatives Ana C. Coelho, Mariela Nolasco, Salete S. Balula, Margarida M. Antunes, Cláudia C. L. Pereira, Filipe A. Almeida Paz, Anabela A. Valente, Martyn Pillinger, Paulo Ribeiro-Claro, Jacek Klinowski, and Isabel S. Gonçalves pp 525–538 DOI: 10.1021/ic101384p Supporting Info

Three-Dimensional Porous Cd(II) Coordination Polymer with Large One-Dimensional Hexagonal Channels: High Pressure CH4 and H2 Adsorption Studies Manish K. Sharma, Irena Senkovska, Stefan Kaskel, and Parimal K. Bharadwaj pp 539–544 DOI: 10.1021/ic101412p Supporting Info

Synthesis, Electronic Structure, DNA and Protein Binding, DNA Cleavage, and Anticancer Activity of Fluorophore-Labeled Copper(II) Complexes Satish S. Bhat, Anupa A. Kumbhar, Hussain Heptullah, Ayesha A. Khan, Vivekanand V. Gobre, Shridhar P. Gejji, and Vedavati G. Puranik pp 545–558 DOI: 10.1021/ic101534n Supporting Info

A Giant Polyaluminum Species S−Al32 and Two Aluminum Polyoxocations Involving Coordination by Sulfate Ions S−Al32 and S−K−Al13 Zhong Sun, Hui Wang, Honggeer Tong, and Shaofan Sun pp 559–564 DOI: 10.1021/ic101875r Supporting Info

Lead−Chromium Carbonyl Complexes Incorporated with Group 8 Metals: Synthesis, Reactivity, and Theoretical Calculations Minghuey Shieh, Yen-Yi Chu, Miao-Hsing Hsu, Wei-Ming Ke, and Chien-Nan Lin pp 565–575 DOI: 10.1021/ic101560u Supporting Info

Structure, Properties, and Theoretical Electronic Structure of UCuOP and NpCuOP Daniel M. Wells, Emilie Ringe, D. Kaczorowski, D. Gnida, G. André, Richard G. Haire, Donald E. Ellis, and James A. Ibers pp 576–589 DOI: 10.1021/ic101665g Supporting Info

Bipodal Acylthiourea Ligands as Building Blocks for Bi-, Tetra-, and Polynuclear Oxorhenium(V) Complexes Hung Huy Nguyen, Pham Chien Thang, Axel Rodenstein, Reinhard Kirmse, and Ulrich Abram pp 590–596 DOI: 10.1021/ic1017642 Supporting Info

Reversible Solid-State Structural Transformation of a 1D−2D Coordination Polymer by Thermal De/Rehydration Processes Chih-Chieh Wang, Ching-Chun Yang, Chang-Tsung Yeh, Kum-Yi Cheng, Pei-Chen Chang, Mei-Lin Ho, Gene-Hsiang Lee, Wei-Ju Shih, and Hwo-Shuenn Sheu pp 597–603 DOI: 10.1021/ic1018345 Supporting Info

Self-Assembly of Hybrid Organic−Inorganic Polyoxomolybdates: Solid-State Structures and Investigation of Formation and Core Rearrangements in Solution Camelia I. Onet, Lei Zhang, Rodolphe Clérac, J. Bernard Jean-Denis, Martin Feeney, Thomas McCabe, and Wolfgang Schmitt pp 604–613 DOI: 10.1021/ic101672t Supporting Info

XAS and DFT Investigation of Mononuclear Cobalt(III) Peroxo Complexes: Electronic Control of the Geometric Structure in CoO2 versus NiO2 Systems Ritimukta Sarangi, Jaeheung Cho, Wonwoo Nam, and Edward I. Solomon pp 614–620 DOI: 10.1021/ic101730r Supporting Info

Synthesis, Structure, and DNA Cleavage Properties of Copper(II) Complexes of 1,4,7-Triazacyclononane Ligands Featuring Pairs of Guanidine Pendants Linda Tjioe, Tanmaya Joshi, Joël Brugger, Bim Graham, and Leone Spiccia pp 621–635 DOI: 10.1021/ic1018136 Supporting Info

Comparison of the Redox Chemistry of Primary and Secondary Amides of U(IV): Isolation of a U(VI) Bis(imido) Complex or a Homoleptic U(VI) Amido Complex Lani A. Seaman, Skye Fortier, Guang Wu, and Trevor W. Hayton pp 636–646 DOI: 10.1021/ic101847b Supporting Info

Perovskite-Type Metal Oxides Exhibiting Negligible Grain Boundary Resistance to Total Electrical Conductivity Tania Pannu, Kanwar Gulsher Singh Pannu, and Venkataraman Thangadurai pp 647–655 DOI: 10.1021/ic101846f Supporting Info

Data Mined Ionic Substitutions for the Discovery of New Compounds Geoffroy Hautier, Chris Fischer, Virginie Ehrlacher, Anubhav Jain, and Gerbrand Ceder pp 656–663 DOI: 10.1021/ic102031h Supporting Info

Homoleptic Coinage Metal Compounds of Group(IV)heteroborates Hartmut Schubert, Jörg-Alexander Dimmer, Fritz-Robert Küchle, Klaus Eichele, and Lars Wesemann pp 664–670 DOI: 10.1021/ic102118n Supporting Info

Saddle Distortion of a Sterically Unhindered Porphyrin Ring in a Copper Porphyrin with Electron-Donating Substituents Wentong Chen, Mohamed E. El-Khouly, and Shunichi Fukuzumi pp 671–678 DOI: 10.1021/ic102208y Supporting Info

Liquid Dinitromethanide Salts Ling He, Guo-Hong Tao, Damon A. Parrish, and Jean’ne M. Shreeve pp 679–685 DOI: 10.1021/ic101959r Supporting Info

Homochiral, Helical Supramolecular Metal−Organic Frameworks Organized by Strong π···π Stacking Interactions: Single-Crystal to Single-Crystal Transformations in Closely Packed Solids Daniel L. Reger, Jacob J. Horger, Mark D. Smith, Gary J. Long, and Fernande Grandjean pp 686–704 DOI: 10.1021/ic102256t Supporting Info

Issue 03

Homogeneous Photocatalytic Hydrogen Production Using π-Conjugated Platinum(II) Arylacetylide Sensitizers Xianghuai Wang, Sébastien Goeb, Zhiqiang Ji, Nadezhda A. Pogulaichenko, and Felix N. Castellano pp 705–707 DOI: 10.1021/ic101731j Supporting Info

Rearrangement of the Tris(2-pyridylthio)methanido Ligand in an Iron(II) Complex Containing an Fe−C Bond Partha Halder and Tapan Kanti Paine pp 708–710 DOI: 10.1021/ic101913p Supporting Info

Enhanced Ionic Conductivity in an Otherwise Poorly Conducting Ce0.90Ca0.10O2−δ System S. Banerjee, K. Priolkar, and P. Sujatha Devi pp 711–713 DOI: 10.1021/ic101885p

HX Addition and Photochemical H2 Elimination by Ni NHC Complexes Chang Hoon Lee, Timothy R. Cook, and Daniel G. Nocera pp 714–716 DOI: 10.1021/ic102017t Supporting Info

Enhanced Rate of Arene Hydrogenation with Imidazolium Functionalized Bipyridine Stabilized Rhodium Nanoparticle Catalysts Ryan R. Dykeman, Ning Yan, Rosario Scopelliti, and Paul J. Dyson pp 717–719 DOI: 10.1021/ic102041q Supporting Info

Slow Magnetic Relaxation in Novel Dy4 and Dy8 Compounds Pei-Pei Yang, Xi-Feng Gao, Hai-Bin Song, Sai Zhang, Xue-Lan Mei, Li-Cun Li, and Dai-Zheng Liao pp 720–722 DOI: 10.1021/ic1021643 Supporting Info

Photochemical Synthesis of Bismuth Selenide Nanocrystals in an Aqueous Micellar Solution David H. Webber and Richard L. Brutchey pp 723–725 DOI: 10.1021/ic102206d Supporting Info

Self-Assembly of a Metallomacrocycle Templated by Iron(II) Feng Li, Jack K. Clegg, David Price, and Cameron J. Kepert pp 726–728 DOI: 10.1021/ic102350t Supporting Info

Microwave-Assisted Cyanation of an Aryl Bromide Directly on a Metal−Organic Framework Min Kim, Sergio J. Garibay, and Seth M. Cohen pp 729–731 DOI: 10.1021/ic102436b Supporting Info

Molybdenum Site Structure of Escherichia coli YedY, a Novel Bacterial Oxidoreductase M. Jake Pushie, Christian J. Doonan, Kamila Moquin, Joel H. Weiner, Richard Rothery, and Graham N. George pp 732–740 DOI: 10.1021/ic101280m

Structure of the Molybdenum Site in YedY, a Sulfite Oxidase Homologue from Escherichia coli Kajsa G. V. Havelius, Stefan Reschke, Sebastian Horn, Alexander Döring, Dimitri Niks, Russ Hille, Carola Schulzke, Silke Leimkühler, and Michael Haumann pp 741–748 DOI: 10.1021/ic101291j Supporting Info

Metallo-β-lactamase-Catalyzed Hydrolysis of Cephalosporins: Some Mechanistic Insights into the Effect of Heterocyclic Thiones on Enzyme Activity A. Tamilselvi and Govindasamy Mugesh pp 749–756 DOI: 10.1021/ic100253k Supporting Info

Facile Electrochemical Synthesis of Hexagonal Cu2O Nanotube Arrays and Their Application Jin-Hui Zhong, Gao-Ren Li, Zi-Long Wang, Yan-Nan Ou, and Ye-Xiang Tong pp 757–763 DOI: 10.1021/ic1017664

Electronic Structures of Group 9 Metallocorroles with Axial Ammines Sijia S. Dong, Robert J. Nielsen, Joshua H. Palmer, Harry B. Gray, Zeev Gross, Siddharth Dasgupta, and William A. Goddard, III pp 764–770 DOI: 10.1021/ic1005902 Supporting Info

Comparative Study of Mono- and Dinuclear Complexes of Late 3d-Metal Chlorides with N,N-Dimethylformamide in the Gas phase Lucie Ducháčková, Jana Roithová, Petr Milko, Jan Žabka, Nikos Tsierkezos, and Detlef Schröder pp 771–782 DOI: 10.1021/ic100759h Supporting Info

Pyrolytic Decomposition of Ammonia Borane to Boron Nitride Samuel Frueh, Richard Kellett, Carl Mallery, Trent Molter, William S. Willis, Cecil King’ondu, and Steven L. Suib pp 783–792 DOI: 10.1021/ic101020k

Synthesis, Structure, and Reactions of 1-tert-Butyl-2-diphenylphosphino-imidazole Susanne Sauerbrey, Paresh Kumar Majhi, Jörg Daniels, Gregor Schnakenburg, Gerhard Markus Brändle, Katharina Scherer, and Rainer Streubel pp 793–799 DOI: 10.1021/ic101122n Supporting Info

From Hollow Olive-Shaped BiVO4 to n−p Core−Shell BiVO4@Bi2O3 Microspheres: Controlled Synthesis and Enhanced Visible-Light-Responsive Photocatalytic Properties Mei-Li Guan, De-Kun Ma, Sheng-Wei Hu, Yan-Jun Chen, and Shao-Ming Huang pp 800–805 DOI: 10.1021/ic101961z Supporting Info

Regioselective Aromatic Substitution Reactions of Cyclometalated Ir(III) Complexes: Synthesis and Photochemical Properties of Substituted Ir(III) Complexes That Exhibit Blue, Green, and Red Color Luminescence Emission Shin Aoki, Yasuki Matsuo, Shiori Ogura, Hiroki Ohwada, Yosuke Hisamatsu, Shinsuke Moromizato, Motoo Shiro, and Masanori Kitamura pp 806–818 DOI: 10.1021/ic101164g Supporting Info

Bonding Analysis of Metal−Metal Multiple Bonds in R3M−M′R3 (M, M′ = Cr, Mo, W; R = Cl, NMe2) Nozomi Takagi, Andreas Krapp, and Gernot Frenking pp 819–826 DOI: 10.1021/ic101227u Supporting Info

Planar Symmetry Incompatibility in Ru−Sn−Zn Pseudo-Decagonal Approximants Composed of Novel Pentagonal Antiprisms Ding-Bang Xiong, Norihiko L. Okamoto, and Haruyuki Inui pp 827–835 DOI: 10.1021/ic101720m Supporting Info

Effect of Inclining Strain on the Crystal Lattice along an Extended Series of Lanthanide Hydroxysulfates Ln(OH)SO4 (Ln = Pr−Yb, except Pm) Ralph A. Zehnder, Christopher S. Wilson, Hunter T. Christy, Kenneth S. Harris, Varun Chauhan, Victor Schutz, Matthew Sullivan, Matthias Zeller, Frank R. Fronczek, Jacob A. Myers, Kyle Dammann, James Duck, Peter M. Smith, Antony Okuma, Kristin Johnson, Robert Sovesky, Cameron Stroudt, and Robert A. Renn pp 836–846 DOI: 10.1021/ic101350f Supporting Info

Kinetic and Theoretical Studies on the Protonation of [Ni(2-SC6H4N){PhP(CH2CH2PPh2)2}]+: Nitrogen versus Sulfur as the Protonation Site Athinoula L. Petrou, Andreas D. Koutselos, Hilal S. Wahab, William Clegg, Ross W. Harrington, and Richard A. Henderson pp 847–857 DOI: 10.1021/ic101444d Supporting Info

Sulfates of the Refractory Metals: Crystal Structure and Thermal Behavior of Nb2O2(SO4)3, MoO2(SO4), WO(SO4)2, and Two Modifications of Re2O5(SO4)2 Ulf Betke and Mathias S. Wickleder pp 858–872 DOI: 10.1021/ic101455z Supporting Info

Water-Soluble Cp Ruthenium Complex Containing 1,3,5-Triaza-7-phosphaadamantane and 8-Thiotheophylline Derivatives: Synthesis, Characterization, and Antiproliferative Activity Lazhar Hajji, Cristobal Saraiba-Bello, Antonio Romerosa, Gaspar Segovia-Torrente, Manuel Serrano-Ruiz, Paola Bergamini, and Alessandro Canella pp 873–882 DOI: 10.1021/ic101466u Supporting Info

Complex Formation in Aqueous Solution and in the Solid State of the Potent Insulin-Enhancing VIVO2+ Compounds Formed by Picolinate and Quinolinate Derivatives Elzbieta Lodyga-Chruscinska, Giovanni Micera, and Eugenio Garribba pp 883–899 DOI: 10.1021/ic101475x

Heteroscorpionate-Based Co2+, Zn2+, and Cu2+ Complexes: Coordination Behavior, Aerobic Oxidation, and Hydrogen Sulfide Detection Maria Strianese, Stefano Milione, Valerio Bertolasi, Claudio Pellecchia, and Alfonso Grassi pp 900–910 DOI: 10.1021/ic101467s Supporting Info

Temperature-Dependent in Situ Ligand Cyclization via C═C Coupling and Formation of a Spin-Crossover Iron(II) Coordination Polymer Feng-Lei Yang, Jun Tao, Rong-Bin Huang, and Lan-Sun Zheng pp 911–917 DOI: 10.1021/ic101490a Supporting Info

Ortho-Hydroxyphenylhydrazo-β-Diketones: Tautomery, Coordination Ability, and Catalytic Activity of Their Copper(II) Complexes toward Oxidation of Cyclohexane and Benzylic Alcohols Maximilian N. Kopylovich, Kamran T. Mahmudov, M. Fátima C. Guedes da Silva, Paweł J. Figiel, Yauhen Yu. Karabach, Maxim L. Kuznetsov, Konstantin V. Luzyanin, and Armando J. L. Pombeiro pp 918–931 DOI: 10.1021/ic101516k Supporting Info

Synthesis and Characterization of Methylammonium Borohydride Kathryn R. Graham, Mark E. Bowden, and Tim Kemmitt pp 932–936 DOI: 10.1021/ic1015719 Supporting Info

Synthesis and Structure of 6-Aminofulvene-2-aldiminate Complexes Alexander M. Willcocks, Alexander Gilbank, Stephen P. Richards, Simon K. Brayshaw, Andrew J. Kingsley, Raj Odedra, and Andrew L. Johnson pp 937–948 DOI: 10.1021/ic101524b Supporting Info

Assembly of a Trifunctional Artificial Peptide Into an Anti-Parallel Duplex with Three Cu(II) Cross-links Matthew B. Coppock, James R. Miller, and Mary Elizabeth Williams pp 949–955 DOI: 10.1021/ic101538v Supporting Info

Yttrium(III)-Containing Tungstoantimonate(III) Stabilized by Tetrahedral WO42− Capping Unit, [{Y(α-SbW9O31(OH)2)(CH3COO)(H2O)}3(WO4)]17− Masooma Ibrahim, Sib Sankar Mal, Bassem S. Bassil, Abhishek Banerjee, and Ulrich Kortz pp 956–960 DOI: 10.1021/ic102149c Supporting Info

Copper(I) Coordination Polymers of N,N′-Bis[3-(methylthio)propyl]pyromellitic Diimide: Crystal Transformation and Solvatochromism by Halogen−π Interactions Garam Park, Hojin Yang, Tae Ho Kim, and Jineun Kim pp 961–968 DOI: 10.1021/ic101562p Supporting Info

Investigation of the Electronic, Photosubstitution, Redox, and Surface Properties of New Ruthenium(II)-Containing Amphiphiles Frank D. Lesh, Marco M. Allard, Rama Shanmugam, Lew M. Hryhorczuk, John F. Endicott, H. Bernhard Schlegel, and Cláudio N. Verani pp 969–977 DOI: 10.1021/ic1015934 Supporting Info

Transmetalation Reactions of a Scandium Complex Supported by a Ferrocene Diamide Ligand Wenliang Huang, Colin T. Carver, and Paula L. Diaconescu pp 978–984 DOI: 10.1021/ic1016005 Supporting Info

Reversible Single-Crystal-to-Single-Crystal Transformation and Highly Selective Adsorption Property of Three-Dimensional Cobalt(II) Frameworks Zhi Su, Min Chen, Taka-aki Okamura, Man-Sheng Chen, Shui-Sheng Chen, and Wei-Yin Sun pp 985–991 DOI: 10.1021/ic101618n Supporting Info

Insight into Technetium Amidoxime Complex: Oxo Technetium(V) Complex of N-Substituted Benzamidoxime as New Basic Structure for Molecular Imaging Khajadpai Thipyapong, Tomoya Uehara, Yuji Tooyama, Henrik Braband, Roger Alberto, and Yasushi Arano pp 992–998 DOI: 10.1021/ic101714q Supporting Info

Fabrication and Evaluation of ZnO Nanorods by Liquid-Phase Deposition Takafumi Ichikawa and Seimei Shiratori pp 999–1004 DOI: 10.1021/ic102097q

Structures of Vanadium(III)-Ethylenediamine-N,N′-diacetato-N,N′-di-3-propionato Complexes. Critical Role of pπ-dπ Donation in Determining the Coordination Number Roland Meier, Steffi Mitzenheim, Hans Pritzkow, and Rudi van Eldik pp 1005–1013 DOI: 10.1021/ic101679n Supporting Info

Halide and Nitrite Recognizing Hexanuclear Metallacycle Copper(II) Pyrazolates Ahmed A. Mohamed, Simone Ricci, Alfredo Burini, Rossana Galassi, Carlo Santini, Gina M. Chiarella, Doris Y. Melgarejo, and John P. Fackler, Jr. pp 1014–1020 DOI: 10.1021/ic1016824 Supporting Info

Experimental and Theoretical Mössbauer Study of an Extended Family of [Fe8(μ4-O)4(μ-4-R-px)12X4] Clusters Ekaterina M. Zueva, W. M. C. Sameera, Dalice M. Piñero, Indranil Chakraborty, Eamonn Devlin, Peter Baran, Katarina Lebruskova, Yiannis Sanakis, John E. McGrady, and Raphael G. Raptis pp 1021–1029 DOI: 10.1021/ic101691q Supporting Info

Different ortho and para Electronic Effects on Hydrolysis and Cytotoxicity of Diamino Bis(Phenolato) “Salan” Ti(IV) Complexes Dani Peri, Sigalit Meker, Cesar M. Manna, and Edit Y. Tshuva pp 1030–1038 DOI: 10.1021/ic101693v Supporting Info

Chemical Bonding and Aromaticity in Trinuclear Transition-Metal Halide Clusters Philippe F. Weck, Alina P. Sergeeva, Eunja Kim, Alexander I. Boldyrev, and Kenneth R. Czerwinski pp 1039–1046 DOI: 10.1021/ic101779w Supporting Info

Mechanistic Studies of the O2-Dependent Aliphatic Carbon−Carbon Bond Cleavage Reaction of a Nickel Enolate Complex Lisa M. Berreau, Tomasz Borowski, Katarzyna Grubel, Caleb J. Allpress, Jeffrey P. Wikstrom, Meaghan E. Germain, Elena V. Rybak-Akimova, and David L. Tierney pp 1047–1057 DOI: 10.1021/ic1017888 Supporting Info

Coordination Chemistry Study of Hydrated and Solvated Lead(II) Ions in Solution and Solid State Ingmar Persson, Krzysztof Lyczko, Daniel Lundberg, Lars Eriksson, and Anna Płaczek pp 1058–1072 DOI: 10.1021/ic1017714 Supporting Info

Ionothermal Syntheses and Characterizations of New Open-Framework Metal Borophosphates Tan Su, Hongzhu Xing, Jin Xu, Jihong Yu, and Ruren Xu pp 1073–1078 DOI: 10.1021/ic101713y Supporting Info

Pyrazine-2-amidoxime Ni(II) Complexes: From Ferromagnetic Cluster to Antiferromagnetic Layer Guang-Yu An, Cong-Min Ji, Ai-Li Cui, and Hui-Zhong Kou pp 1079–1083 DOI: 10.1021/ic1022714 Supporting Info

Syntheses, Structures, and Magnetic Properties of Np3S5 and Np3Se5 Geng Bang Jin, S. Skanthakumar, Richard G. Haire, L. Soderholm, and James A. Ibers pp 1084–1088 DOI: 10.1021/ic101915x Supporting Info

Crystal Chemistry and Stability of “Li7La3Zr2O12” Garnet: A Fast Lithium-Ion Conductor Charles A. Geiger, Evgeny Alekseev, Biljana Lazic, Martin Fisch, Thomas Armbruster, Ramona Langner, Michael Fechtelkord, Namjun Kim, Thomas Pettke, and Werner Weppner pp 1089–1097 DOI: 10.1021/ic101914e

Technetium(I) Carbonyl Dithiocarbamates and Xanthates A. E. Miroslavov, G. V. Sidorenko, D. N. Suglobov, A. A. Lumpov, V. V. Gurzhiy, M. S. Grigor’ev, and V. A. Mikhalev pp 1098–1104 DOI: 10.1021/ic1019313 Supporting Info

Spectroscopic and Structural Investigations Reveal the Signaling Mechanism of a Luminescent Molybdate Sensor Vincent A. Corden, Anne-K. Duhme-Klair, Sarah Hostachy, Robin N. Perutz, and Nicole Reddig , Hans-Christian Becker and Leif Hammarström pp 1105–1115 DOI: 10.1021/ic1019422 Supporting Info

Magnesium Imide: Synthesis and Structure Determination of an Unconventional Alkaline Earth Imide from Decomposition of Magnesium Amide Francesco Dolci, Emilio Napolitano, Eveline Weidner, Stefano Enzo, Pietro Moretto, Michela Brunelli, Thomas Hansen, Maximilian Fichtner, and Wiebke Lohstroh pp 1116–1122 DOI: 10.1021/ic1023778 Supporting Info

Toward the Self-Assembly of Metal−Organic Nanotubes Using Metal−Metal and π-Stacking Interactions: Bis(pyridylethynyl) Silver(I) Metallo-macrocycles and Coordination Polymers Kelly J. Kilpin, Martin L. Gower, Shane G. Telfer, Geoffrey B. Jameson, and James D. Crowley pp 1123–1134 DOI: 10.1021/ic1020059 Supporting Info

Near-Infrared-Emitting Phthalocyanines. A Combined Experimental and Density Functional Theory Study of the Structural, Optical, and Photophysical Properties of Pd(II) and Pt(II) α-Butoxyphthalocyanines Alexandra V. Soldatova, Junhwan Kim, Corrado Rizzoli, Malcolm E. Kenney, Michael A. J. Rodgers, Angela Rosa, and Giampaolo Ricciardi pp 1135–1149 DOI: 10.1021/ic102209q Supporting Info

One-Pot Synthesis of Symmetric and Asymmetric p-Quinone Ligands and Unprecedented Substituent Induced Reactivity in Their Dinuclear Ruthenium Complexes David Schweinfurth, Hari Sankar Das, Fritz Weisser, Denis Bubrin, and Biprajit Sarkar pp 1150–1159 DOI: 10.1021/ic101972u Supporting Info

Issue 04

Formation of a Dinuclear Imido Complex from the Reaction of a Ruthenium(VI) Nitride with a Ruthenium(II) Hydride Xiao-Yi Yi, Ho-Yuen Ng, Ian D. Williams, and Wa-Hung Leung pp 1161–1163 DOI: 10.1021/ic101520g Supporting Info

Insights into the Coordination Chemistry of Phosphonate Derivatives of Heteropolyoxotungstates Richard Villanneau, David Racimor, Elisabeth Messner-Henning, Hélène Rousselière, Sébastien Picart, René Thouvenot, and Anna Proust pp 1164–1166 DOI: 10.1021/ic102223w Supporting Info

Multiple Pathways for Benzyl Alcohol Oxidation by RuV═O3+ and RuIV═O2+ Amit Paul, Jonathan F. Hull, Michael R. Norris, Zuofeng Chen, Daniel H. Ess, Javier J. Concepcion, and Thomas J. Meyer pp 1167–1169 DOI: 10.1021/ic1024923 Supporting Info

Making Spin-Crossover Crystals by Successive Polymorphic Transformations Rong-Jia Wei, Bao Li, Jun Tao, Rong-Bin Huang, Lan-Sun Zheng, and Zhiping Zheng pp 1170–1172 DOI: 10.1021/ic102231j Supporting Info

One Octarepeate Expansion to the Human Prion Protein Alters Both the Zn2+ and Cu2+ Coordination Environments within the Octarepeate Domain Jason Shearer, Kyle E. Rosenkoetter, Paige E. Callan, and Chi Pham pp 1173–1175 DOI: 10.1021/ic102294u Supporting Info

Linear Correlation between 1H and 13C Chemical Shifts of Ferriheme Proteins and Model Ferrihemes Fei Yang, Tatiana K. Shokhireva, and F. Ann Walker pp 1176–1183 DOI: 10.1021/ic1020274

Yb3AuGe2In3: An Ordered Variant of the YbAuIn Structure Exhibiting Mixed-Valent Yb Behavior Maria Chondroudi, Sebastian C. Peter, Christos D. Malliakas, Mali Balasubramanian, Qing’An Li, and Mercouri G. Kanatzidis pp 1184–1193 DOI: 10.1021/ic100975x Supporting Info

Theoretical Insights into Heme-Catalyzed Oxidation of Cyclohexane to Adipic Acid Holger Noack, Valentin Georgiev, Margareta R. A. Blomberg, Per E. M. Siegbahn, and Adam Johannes Johansson pp 1194–1202 DOI: 10.1021/ic101405u Supporting Info

Real-Time High-Resolution X-ray Imaging and Nuclear Magnetic Resonance Study of the Hydration of Pure and Na-Doped C3A in the Presence of Sulfates A. P. Kirchheim, D. C. Dal Molin, P. Fischer, Abdul-Hamid Emwas, J. L. Provis, and P. J. M. Monteiro pp 1203–1212 DOI: 10.1021/ic101460z

A Highly Selective Fluorescent Chemosensor for Zinc Ion and Imaging Application in Living Cells Uday Chand Saha, Basab Chattopadhyay, Koushik Dhara, Sushil Kumar Mandal, Sandipan Sarkar, Anisur Rahman Khuda-Bukhsh, Monika Mukherjee, Madeleine Helliwell, and Pabitra Chattopadhyay pp 1213–1219 DOI: 10.1021/ic1015252 Supporting Info

Synthesis and Luminescent Properties of cis Bis-N-Heterocyclic Carbene Platinum(II) Bis-Arylacetylide Complexes Yuzhen Zhang, Jai Anand Garg, Clement Michelin, Thomas Fox, Olivier Blacque, and Koushik Venkatesan pp 1220–1228 DOI: 10.1021/ic101632v Supporting Info

Synthesis, Structural, and Photophysical Investigation of Diimine Triscarbonyl Re(I) Tetrazolato Complexes. Melissa V. Werrett, Daniel Chartrand, Julian D. Gale, Garry S. Hanan, Jonathan G. MacLellan, Massimiliano Massi, Sara Muzzioli, Paolo Raiteri, Brian W. Skelton, Morry Silberstein, and Stefano Stagni pp 1229–1241 DOI: 10.1021/ic1015516 Supporting Info

Alkylamine-Ligated H93G Myoglobin Cavity Mutant: A Model System for Endogenous Lysine and Terminal Amine Ligation in Heme Proteins such as Nitrite Reductase and Cytochrome f Jing Du, Roshan Perera, and John H. Dawson pp 1242–1249 DOI: 10.1021/ic101644u Supporting Info

Atomic Interactions in the p-Type Clathrate I Ba8Au5.3Ge40.7 Hui Zhang, Horst Borrmann, Niels Oeschler, Christophe Candolfi, Walter Schnelle, Marcus Schmidt, Ulrich Burkhardt, Michael Baitinger, Jing-Tai Zhao, and Yuri Grin pp 1250–1257 DOI: 10.1021/ic1016559

Tuning the Electrochemistry of Re26+ Species with Divergent Bicyclic Guanidinate Ligands and by Modification of Axial π Interactions Gina M. Chiarella, F. Albert Cotton, Carlos A. Murillo, and Mark D. Young pp 1258–1264 DOI: 10.1021/ic101890p Supporting Info

Aggregation of [Au(CN)4]− Anions: Examination by Crystallography and 15N CP-MAS NMR and the Structural Factors Influencing Intermolecular Au···N Interactions Andrew R. Geisheimer, John E. C. Wren, Vladimir K. Michaelis, Masayuki Kobayashi, Ken Sakai, Scott Kroeker, and Daniel B. Leznoff pp 1265–1274 DOI: 10.1021/ic101782v Supporting Info

Synthesis and Physicochemical Characterization of Carbon Backbone Modified [Gd(TTDA)(H2O)]2− Derivatives Ya-Hui Chang, Chiao-Yun Chen, Gyan Singh, Hsing-Yin Chen, Gin-Chung Liu, Yih-Gang Goan, Silvio Aime, and Yun-Ming Wang pp 1275–1287 DOI: 10.1021/ic101799c Supporting Info

Synthesis of Air Stable FeCo/C Alloy Nanoparticles by Decomposing a Mixture of the Corresponding Metal-Acetyl Acetonates under Their Autogenic Pressure Elena Holodelshikov, Ilana Perelshtein, and Aharon Gedanken pp 1288–1294 DOI: 10.1021/ic101825e

Curcumin as the OO Bidentate Ligand in “2 + 1” Complexes with the [M(CO)3]+ (M = Re, 99mTc) Tricarbonyl Core for Radiodiagnostic Applications Marina Sagnou, Dimitra Benaki, Charalampos Triantis, Theodoros Tsotakos, Vassilis Psycharis, Catherine P. Raptopoulou, Ioannis Pirmettis, Minas Papadopoulos, and Maria Pelecanou pp 1295–1303 DOI: 10.1021/ic102228u Supporting Info

Heterometallic Cubanes: Syntheses, Structures, and Magnetic Properties of Lanthanide(III)−Nickel(II) Architectures Yajie Gao, Lang Zhao, Xuebin Xu, Gong-Feng Xu, Yun-Nan Guo, Jinkui Tang, and Zhiliang Liu pp 1304–1308 DOI: 10.1021/ic101849h Supporting Info

Two-Phase Synthesis of Colloidal Annular-Shaped CexLa1−xCO3OH Nanoarchitectures Assemblied from Small Particles and Their Thermal Conversion to Derived Mixed Oxides Thanh-Dinh Nguyen, Cao-Thang Dinh, and Trong-On Do pp 1309–1320 DOI: 10.1021/ic101871v Supporting Info

Synthesis, Structure, and Optical Properties of LiEu(PO3)4 Nanoparticles R. J. Wiglusz, R. Pazik, A. Lukowiak, and W. Strek pp 1321–1330 DOI: 10.1021/ic101981x

Osazone Anion Radical Complex of Rhodium(III) Sarat Chandra Patra, Manas Kumar Biswas, Amarendra Nath Maity, and Prasanta Ghosh pp 1331–1338 DOI: 10.1021/ic101945d Supporting Info

Diorganotin-Based Coordination Polymers Derived from Sulfonate/Phosphonate/Phosphonocarboxylate Ligands Ravi Shankar, Archana Jain, Gabriele Kociok-Köhn, and Kieran C. Molloy pp 1339–1350 DOI: 10.1021/ic1018423 Supporting Info

Binuclear Methylborole Iron Carbonyls: Iron−Iron Multiple Bonds and Perpendicular Structures Jianlin Chen, Shaolin Chen, Liu Zhong, Hao Feng, Yaoming Xie, and R. Bruce King pp 1351–1360 DOI: 10.1021/ic101956z Supporting Info

Nature of Intramolecular Transannular Interaction in Group 13 Atranes: A Theoretical Study Ashwini K. Phukan and Ankur Kanti Guha pp 1361–1367 DOI: 10.1021/ic101997b Supporting Info

Xanthene-Modified and Hangman Iron Corroles Matthias Schwalbe, Dilek K. Dogutan, Sebastian A. Stoian, Thomas S. Teets, and Daniel G. Nocera pp 1368–1377 DOI: 10.1021/ic101943h Supporting Info

Copper-Binding Properties and Structures of Methanobactins from Methylosinus trichosporium OB3b Abdelnasser El Ghazouani, Arnaud Baslé, Susan J. Firbank, Charles W. Knapp, Joe Gray, David W. Graham, and Christopher Dennison pp 1378–1391 DOI: 10.1021/ic101965j Supporting Info

Structure and Gas Sorption Behavior of a New Three Dimensional Porous Magnesium Formate Arijit Mallick, Subhadeep Saha, Pradip Pachfule, Sudip Roy, and Rahul Banerjee pp 1392–1401 DOI: 10.1021/ic102057p Supporting Info

Nature of Bonding in Terminal Borylene, Alylene, and Gallylene Complexes of Vanadium and Niobium [(η5-C5H5)(CO)3M(ENR2)] (M = V, Nb; E = B, Al, Ga; R = CH3, SiH3, CMe3, SiMe3): A DFT Study Krishna K. Pandey, Holger Braunschweig, and Agustí Lledós pp 1402–1410 DOI: 10.1021/ic1019718 Supporting Info

Chelating Effect as a Driving Force for the Selective Formation of Heteroligated Pt(II) Complexes with Bidentate Phosphino-Chalcoether Ligands Mari S. Rosen, Alexander M. Spokoyny, Charles W. Machan, Charlotte Stern, Amy Sarjeant, and Chad A. Mirkin pp 1411–1419 DOI: 10.1021/ic101973s Supporting Info

Rational Assembly of Soluble Copper(II) Phosphonates: Synthesis, Structure and Magnetism of Molecular Tetranuclear Copper(II) Phosphonates Vadapalli Chandrasekhar, Tapas Senapati, Atanu Dey, and E. Carolina Sañudo pp 1420–1428 DOI: 10.1021/ic101982c Supporting Info

Discrete RhIII/FeII and RhIII/FeII/CoIII Cyanide-Bridged Mixed Valence Compounds Paul V. Bernhardt, Manuel Martínez, Carlos Rodríguez, and Marta Vazquez pp 1429–1440 DOI: 10.1021/ic102061s Supporting Info

Magnetic Structure of Ni(DCOO)2(D2O)2 Mads R. V. Jørgensen, Mogens Christensen, Mette S. Schmøkel, and Bo B. Iversen pp 1441–1446 DOI: 10.1021/ic102008a Supporting Info

N-Rich Salts of 2-Methyl-5-nitraminotetrazole: Secondary Explosives with Low Sensitivities Tobias Fendt, Niko Fischer, Thomas M. Klapötke, and Jörg Stierstorfer pp 1447–1458 DOI: 10.1021/ic1019923 Supporting Info

(N2)3− Radical Chemistry via Trivalent Lanthanide Salt/Alkali Metal Reduction of Dinitrogen: New Syntheses and Examples of (N2)2− and (N2)3− Complexes and Density Functional Theory Comparisons of Closed Shell Sc3+, Y3+, and Lu3+ versus 4f9 Dy3+ Ming Fang, Jefferson E. Bates, Sara E. Lorenz, David S. Lee, Daniel B. Rego, Joseph W. Ziller, Filipp Furche, and William J. Evans pp 1459–1469 DOI: 10.1021/ic102016k Supporting Info

Synthesis and Reactivity of o-Benzylphosphino- and o-α-Methylbenzyl(N,N-dimethyl)amine-Boranes Zachariah M. Heiden, Michael Schedler, and Douglas W. Stephan pp 1470–1479 DOI: 10.1021/ic102044z Supporting Info

The Jahn−Teller Effect: A Case of Incomplete Theory for d4 Complexes? Jorge David, Doris Guerra, and Albeiro Restrepo pp 1480–1483 DOI: 10.1021/ic102048j

Reaction of Perfluoroalkyl Grignard Reagents with Phosphorus Trihalides: A New Route to Perfluoroalkyl-phosphonous and -phosphonic Acids Adil I. Hosein, Xavier F. Le Goff, Louis Ricard, and Andrew J. M. Caffyn pp 1484–1490 DOI: 10.1021/ic102063e Supporting Info

Evidence for [18-Crown-6 Na]2[S2O4] in Methanol and Dissociation to Na2S2O4 and 18-Crown-6 in the Solid State; Accounting for the Scarcity of Simple Oxy Dianion Salts of Alkali Metal Crown Ethers in the Solid State Pablo J. Bruna, Scott Greer, Jack Passmore, and J. Mikko Rautiainen pp 1491–1497 DOI: 10.1021/ic102074a Supporting Info

Complexation, Computational, Magnetic, and Structural Studies of the Maillard Reaction Product Isomaltol Including Investigation of an Uncommon π Interaction with Copper(II) Katja B. Heine, Jack K. Clegg, Axel Heine, Kerstin Gloe, Karsten Gloe, Thomas Henle, Gert Bernhard, Zheng-Li Cai, Jeffrey R. Reimers, Leonard F. Lindoy, Jochen Lach, and Berthold Kersting pp 1498–1505 DOI: 10.1021/ic102117d Supporting Info

Coordination-Driven Self-Assembly of M3L2 Trigonal Cages from Preorganized Metalloligands Incorporating Octahedral Metal Centers and Fluorescent Detection of Nitroaromatics Ming Wang, Vaishali Vajpayee, Sankarasekaran Shanmugaraju, Yao-Rong Zheng, Zhigang Zhao, Hyunuk Kim, Partha Sarathi Mukherjee, Ki-Whan Chi, and Peter J. Stang pp 1506–1512 DOI: 10.1021/ic1020719 Supporting Info

Bismuth Coordination Chemistry with Allyl, Alkoxide, Aryloxide, and Tetraphenylborate Ligands and the {[2,6-(Me2NCH2)2C6H3]2Bi}+ Cation Ian J. Casely, Joseph W. Ziller, Bruce J. Mincher, and William J. Evans pp 1513–1520 DOI: 10.1021/ic102119y Supporting Info

Synthesis, Characterization, and Structural Studies of Multimetallic Ferrocenyl Carbene Complexes of Group VII Transition Metals Daniela I. Bezuidenhout, Simon Lotz, Marilé Landman, and David C. Liles pp 1521–1533 DOI: 10.1021/ic101784w Supporting Info

Heterogeneous Catalytic Reduction of Perchlorate in Water with Re−Pd/C Catalysts Derived from an Oxorhenium(V) Molecular Precursor Yunxia Zhang, Keith D. Hurley, and John R. Shapley pp 1534–1543 DOI: 10.1021/ic102158a Supporting Info

[Mn(C4H10ON)(H2O)][Fe(CN)6]: A Three-Dimensional Cyanide-Bridged Ferrimagnet with a Morpholine Ligand Ning Jiang, Feng-Yan Li, Lin Xu, Li−Li Zhao, and Yu-Chao Wang pp 1544–1550 DOI: 10.1021/ic102145s

Iron-Mediated Hydrazine Reduction and the Formation of Iron-Arylimide Heterocubanes Michael J. Zdilla, Atul K. Verma, and Sonny C. Lee pp 1551–1562 DOI: 10.1021/ic1021627 Supporting Info

Structural Evolution of Magnesium Difluoride: from an Amorphous Deposit to a New Polymorph Andreas Bach, Dieter Fischer, Xiaoke Mu, Wilfried Sigle, Peter A. van Aken, and Martin Jansen pp 1563–1569 DOI: 10.1021/ic1021615

Chemistry of Nitrosyliron Complexes Supported by a β-Diketiminate Ligand Zachary J. Tonzetich, Florent Héroguel, Loi H. Do, and Stephen J. Lippard pp 1570–1579 DOI: 10.1021/ic102300d Supporting Info

Issue 05

Luminescent Ruthenium Tripod Complexes: Properties in Solution and on Conductive Surfaces Srinidhi Ramachandra, Klaus C. Schuermann, Fabio Edafe, Peter Belser, Christian A. Nijhuis, William F. Reus, George M. Whitesides, and Luisa De Cola pp 1581–1591 DOI: 10.1021/ic1002868 Supporting Info

Investigation of the Mechanism of Formation of a Thiolate-Ligated Fe(III)-OOH Elaine Nam, Pauline E. Alokolaro, Rodney D. Swartz, Morgan C. Gleaves, Jessica Pikul, and Julie A. Kovacs pp 1592–1602 DOI: 10.1021/ic101776m Supporting Info

Long-Lived and Temperature-Independent Emission from a Novel Ruthenium(II) Complex Having an Arylborane Charge-Transfer Unit Eri Sakuda, Yuki Ando, Akitaka Ito, and Noboru Kitamura pp 1603–1613 DOI: 10.1021/ic1020669 Supporting Info

Affinity of Cu+ for the Copper-Binding Domain of the Amyloid-β Peptide of Alzheimer’s Disease Heather A. Feaga, Richard C. Maduka, Monique N. Foster, and Veronika A. Szalai pp 1614–1618 DOI: 10.1021/ic100967s Supporting Info

7Li NMR Studies on Complexation Reactions of Lithium Ion with Cryptand C211 in Ionic Liquids: Comparison with Corresponding Reactions in Nonaqueous Solvents Atsushi Shirai and Yasuhisa Ikeda pp 1619–1627 DOI: 10.1021/ic101686q Supporting Info

Co3O4@graphene Composites as Anode Materials for High-Performance Lithium Ion Batteries Baojun Li, Huaqiang Cao, Jin Shao, Guoqiang Li, Meizhen Qu, and Gui Yin pp 1628–1632 DOI: 10.1021/ic1023086 Supporting Info

Reactions of Copper(II)-Phenol Systems with O2: Models for TPQ Biosynthesis in Copper Amine Oxidases Kae Tabuchi, Mehmed Z. Ertem, Hideki Sugimoto, Atsushi Kunishita, Tetsuro Tano, Nobutaka Fujieda, Christopher J. Cramer, and Shinobu Itoh pp 1633–1647 DOI: 10.1021/ic101832c Supporting Info

Europium(III) DOTA-Derivatives Having Ketone Donor Pendant Arms Display Dramatically Slower Water Exchange Kayla N. Green, Subha Viswanathan, Federico A. Rojas-Quijano, Zoltan Kovacs, and A. Dean Sherry pp 1648–1655 DOI: 10.1021/ic101856d Supporting Info

Synthesis and Spectroscopic Characterization of CN-Substituted Bipyridyl Complexes of Ru(II) Catherine E. McCusker and James K. McCusker pp 1656–1669 DOI: 10.1021/ic102085b Supporting Info

Synthesis, Structure Elucidation, and Redox Properties of 99Tc Complexes of Lacunary Wells−Dawson Polyoxometalates: Insights into Molecular 99Tc−Metal Oxide Interactions Donna McGregor, Benjamin P. Burton-Pye, Robertha C. Howell, Israel M. Mbomekalle, Wayne W. Lukens, Jr., Fang Bian, Edward Mausolf, Frederic Poineau, Kenneth R. Czerwinski, and Lynn C. Francesconi pp 1670–1681 DOI: 10.1021/ic102111t Supporting Info

Molecule-Ion Interaction and Its Effect on Electrostatic Interaction in the System of Copper Chloride and β-Cyclodextrin Le Xin Song, Jing Yang, Lei Bai, Fang Yun Du, Jie Chen, and Mang Wang pp 1682–1688 DOI: 10.1021/ic1021609

Nonmacrocyclic Luminescent Lanthanide Complexes Stable in Biological Media Nchimi Nono Katia, Alexandre Lecointre, Martín Regueiro-Figueroa, Carlos Platas-Iglesias, and Loïc J. Charbonnière pp 1689–1697 DOI: 10.1021/ic102173f Supporting Info

Coordination Polymers of Zinc with (η6-Benzenecarboxylate) Chromium Tricarbonyl Balasubramanian Murugesapandian and Peter W. Roesky pp 1698–1704 DOI: 10.1021/ic102167t Supporting Info

Galvanic Replacement of Semiconductor Phase I CuTCNQ Microrods with KAuBr4 to Fabricate CuTCNQ/Au Nanocomposites with Photocatalytic Properties Andrew Pearson, Anthony P. O’Mullane, Vipul Bansal, and Suresh K. Bhargava pp 1705–1712 DOI: 10.1021/ic1021752 Supporting Info

Supramolecular Tetrads Containing Sn(IV) Porphyrin, Ru(II) Porphyrin, and Expanded Porphyrins Assembled Using Complementary Metal−Ligand Interactions Vijayendra S. Shetti and Mangalampalli Ravikanth pp 1713–1722 DOI: 10.1021/ic102168f Supporting Info

Solvent Effects and Dynamic Averaging of 195Pt NMR Shielding in Cisplatin Derivatives Lionel A. Truflandier, Kiplangat Sutter, and Jochen Autschbach pp 1723–1732 DOI: 10.1021/ic102174b Supporting Info

Structural Principles of Semiconducting Group 14 Clathrate Frameworks Antti J. Karttunen, Thomas F. Fässler, Mikko Linnolahti, and Tapani A. Pakkanen pp 1733–1742 DOI: 10.1021/ic102178d Supporting Info

Nanotubular Metal−Organic Frameworks with High Porosity Based on T-Shaped Pyridyl Dicarboxylate Ligands Shenglin Xiang, Jing Huang, Lei Li, Jianyong Zhang, Long Jiang, Xiaojun Kuang, and Cheng-Yong Su pp 1743–1748 DOI: 10.1021/ic102188v Supporting Info

Cyano-Bridged Pentanuclear and Honeycomblike MIIICuII (M = Fe, Cr) Bimetallic Assemblies: Structural Variations Modulated by Side Groups of Macrocyclic Ligands and Magnetic Properties Jeong Hak Lim, Jung Hee Yoon, Sang Yup Choi, Dae Won Ryu, Eui Kwan Koh, and Chang Seop Hong pp 1749–1757 DOI: 10.1021/ic102179n Supporting Info

Density Functional Theory Analysis of the Interplay between Jahn−Teller Instability, Uniaxial Magnetism, Spin Arrangement, Metal−Metal Interaction, and Spin−Orbit Coupling in Ca3CoMO6 (M = Co, Rh, Ir) Yuemei Zhang, Erjun Kan, Hongjun Xiang, Antoine Villesuzanne, and Myung-Hwan Whangbo pp 1758–1766 DOI: 10.1021/ic1022278 Supporting Info

Syntheses, Structure, and Luminescent Properties of Novel Hydrated Rare Earth Borates Ln2B6O10(OH)4•H2O (Ln = Pr, Nd, Sm, Eu, Gd, Dy, Ho, and Y) Rihong Cong, Tao Yang, Zheming Wang, Junliang Sun, Fuhui Liao, Yingxia Wang, and Jianhua Lin pp 1767–1774 DOI: 10.1021/ic102230r Supporting Info

Isomeric Complexes of [RuII(trpy)(L)Cl] (trpy = 2,2′:6′,2′′-Terpyridine and HL = Quinaldic Acid): Preference of Isomeric Structural Form in Catalytic Chemoselective Epoxidation Process Abhishek Dutta Chowdhury, Amit Das, Irshad K, Shaikh M. Mobin, and Goutam Kumar Lahiri pp 1775–1785 DOI: 10.1021/ic102195w Supporting Info

Study on the Transesterification of Methyl Aryl Phosphorothioates in Methanol Promoted by Cd(II), Mn(II), and a Synthetic Pd(II) Complex David R. Edwards, Alexei A. Neverov, and R. Stan Brown pp 1786–1797 DOI: 10.1021/ic102220m Supporting Info

Nature of M−Ga Bonds in Cationic Metal-Gallylene Complexes of Iron, Ruthenium, and Osmium, [(η5-C5H5)(L)2M(GaX)]+: A Theoretical Study Krishna K. Pandey and Simon Aldridge pp 1798–1807 DOI: 10.1021/ic102217z Supporting Info

Ca14Au46Sn5: a “Colored” Gd14Ag51-Type Structure Containing Columns of Well-Differentiated Hexagonal Gold Stars Qisheng Lin and John D. Corbett pp 1808–1815 DOI: 10.1021/ic102243c Supporting Info

Carbonyl Complexes of Platinum(0): Synthesis and Structure of [(Cy3P)2Pt(CO)] and [(Cy3P)2Pt(CO)2] Stefanie Bertsch, Holger Braunschweig, Melanie Forster, Katrin Gruss, and Krzysztof Radacki pp 1816–1819 DOI: 10.1021/ic102200t Supporting Info

ACO-Zeotype Iron Aluminum Phosphates with Variable Al/Fe Ratios Controlled by F− Ions Yanyan Wang, Yi Li, Lei Wang, Jingzhe Zhang, Yan Yan, Jiyang Li, Jihong Yu, Jincheng Wang, and Ruren Xu pp 1820–1825 DOI: 10.1021/ic102234s Supporting Info

Direct Synthesis of NNN-Donor Enantiopure Scorpionate Ligands by an Efficient Diastereoselective Nucleophilic Addition to Imines Antonio Otero, Juan Fernández-Baeza, Juan Tejeda, Agustín Lara-Sánchez, Sonia Franco, Jaime Martínez-Ferrer, María P. Carrión, I. López-Solera, and Ana M. Rodríguez, Luis F. Sánchez-Barba pp 1826–1839 DOI: 10.1021/ic102242x Supporting Info

Gold(III) N-Heterocyclic Carbene Complexes Mediated Synthesis of β-Enaminones From 1,3-Dicarbonyl Compounds and Aliphatic Amines Manoja K. Samantaray, Chandrakanta Dash, Mobin M. Shaikh, Keliang Pang, Ray J. Butcher, and Prasenjit Ghosh pp 1840–1848 DOI: 10.1021/ic102268n Supporting Info

Tetradentate N2S2 Vanadyl(IV) Coordination Complexes: Synthesis, Characterization, and Reactivity Studies Roxanne M. Jenkins, Tiffany A. Pinder, Michelle L. Hatley, Joseph H. Reibenspies, and Marcetta Y. Darensbourg pp 1849–1855 DOI: 10.1021/ic1022533 Supporting Info

Low-Spin→High-Spin Relaxation Dynamics in the Highly Diluted Spin-Crossover System [FexZn1−x(bbtr)3](ClO4)2 Itana Krivokapic, Pradip Chakraborty, Cristian Enachescu, Robert Bronisz, and Andreas Hauser pp 1856–1861 DOI: 10.1021/ic102269y Supporting Info

A New Organic−Inorganic Hybrid Layered Molybdenum(V) Cobalt Phosphate Constructed from [H24(Mo16O32)Co16(PO4)24(OH)4(C5H4N)2(H2O)6]4− Wheels and 4,4′-Bipyridine Linkers Kai Yu, Bai-Bin Zhou, Yang Yu, Zhan-Hua Su, and Guo-Yu Yang pp 1862–1867 DOI: 10.1021/ic1022664 Supporting Info

Carbon Monoxide Dehydrogenase Reaction Mechanism: A Likely Case of Abnormal CO2 Insertion to a Ni−H− Bond Patricia Amara, Jean-Marie Mouesca, Anne Volbeda, and Juan C. Fontecilla-Camps pp 1868–1878 DOI: 10.1021/ic102304m Supporting Info

Activation of Carbon Dioxide by Divalent Tin Alkoxides Complexes Lorenzo Ferro, Peter B. Hitchcock, Martyn P. Coles, Hazel Cox, and J. Robin Fulton pp 1879–1888 DOI: 10.1021/ic102273n Supporting Info

A Dynamic Open Framework Exhibiting Guest- and/or Temperature-Induced Bicycle-Pedal Motion in Single-Crystal to Single-Crystal Transformation Manish K. Sharma and Parimal K. Bharadwaj pp 1889–1897 DOI: 10.1021/ic102305v Supporting Info

Solid State Structure of Thorium(IV) Complexes with Common Aminopolycarboxylate Ligands Pierre Thuéry pp 1898–1904 DOI: 10.1021/ic102359q Supporting Info

Spin Crossover in Tetranuclear Cyanide-Bridged Iron(II) Square Complexes: A Theoretical Study Ekaterina M. Zueva, Elmira R. Ryabikh, Andrey M. Kuznetsov, and Serguei A. Borshch pp 1905–1913 DOI: 10.1021/ic102387x Supporting Info

F+ and F− Affinities of Simple NxFy and OxFy Compounds Daniel J. Grant, Tsang-Hsiu Wang, Monica Vasiliu, and David A. Dixon , Karl O. Christe pp 1914–1925 DOI: 10.1021/ic102310v Supporting Info

Magnesium(II) Complexes of 2,4-N,N′-Disubstituted 1,3,5-Triazapentadienyl Ligands: Synthesis and Characterization of [N(Dipp)C(NMe2)NC(NMe2)N(SiMe3)MgBr]2 and [N(R)C(R′)NC(R′)N(SiMe3)]2Mg (Dipp = 2,6-iPr2−C6H3, R = Ph, SiMe3; R′ = NMe2, 1-piperidino) Meisu Zhou, Tao Gong, Xiaoli Qiao, Hongbo Tong, Jianping Guo, and Diansheng Liu pp 1926–1930 DOI: 10.1021/ic102401w Supporting Info

Immobilized Boron-Centered Heteroscorpionates: Heterocycle Metathesis and Coordination Chemistry Patrick J. Desrochers, Brian M. Besel, Adam L. Corken, Jared R. Evanov, Andrea L. Hamilton, David L. Nutt, and Richard M. Tarkka pp 1931–1941 DOI: 10.1021/ic102392x Supporting Info

Combining NMR of Dynamic and Paramagnetic Molecules: Fluxional High-Spin Nickel(II) Complexes Bearing Bisguanidine Ligands Pascal Roquette, Astrid Maronna, Matthias Reinmuth, Elisabeth Kaifer, Markus Enders, and Hans-Jörg Himmel pp 1942–1955 DOI: 10.1021/ic102420x Supporting Info

Spectroscopic and Electronic Structure Studies of Copper(II) Binding to His111 in the Human Prion Protein Fragment 106−115: Evaluating the Role of Protons and Methionine Residues Lina Rivillas-Acevedo, Rafael Grande-Aztatzi, Italia Lomelí, Javier E. García, Erika Barrios, Sarai Teloxa, Alberto Vela, and Liliana Quintanar pp 1956–1972 DOI: 10.1021/ic102381j Supporting Info

New Second-Order NLO Materials Based on Polymeric Borate Clusters and GeO4 Tetrahedra: A Combined Experimental and Theoretical Study Jian-Han Zhang, Chun-Li Hu, Xiang Xu, Fang Kong, and Jiang-Gao Mao pp 1973–1982 DOI: 10.1021/ic102451n Supporting Info

Oxorhenium(V) Complexes with Pyrazole Based Aryloxide Ligands and Application in Olefin Epoxidation Pedro Traar, Jörg A. Schachner, Lisa Steiner, Anna Sachse, Manuel Volpe, and Nadia C. Mösch-Zanetti pp 1983–1990 DOI: 10.1021/ic102455v Supporting Info

Novel Pyridazine Based Scorpionate Ligands in Cobalt and Nickel Boratrane Compounds Gernot Nuss, Gerald Saischek, Bastian N. Harum, Manuel Volpe, Karl Gatterer, Ferdinand Belaj, and Nadia C. Mösch-Zanetti pp 1991–2001 DOI: 10.1021/ic102494k Supporting Info

Synthesis, Composition, and Structure of Sillenite-Type Solid Solutions in the Bi2O3−SiO2−MnO2 System Tatyana I. Mel’nikova, Galina M. Kuz’micheva, Victor B. Rybakov, Nadezhda B. Bolotina, and Alexander B. Dubovsky pp 2002–2009 DOI: 10.1021/ic1018778

Synthesis of Boroxine-Linked Aluminum Complexes Xiaoli Ma, Zhi Yang, Xiujuan Wang, Herbert W. Roesky, Feng Wu, and Hongping Zhu pp 2010–2014 DOI: 10.1021/ic1022906 Supporting Info

Syntheses, and Optical, Fluorescence, and Nonlinear Optical Characterization of Phosphine-Substituted Terthiophenes Qun Zhao, Jianwei Wang, Jason L. Freeman, Makeba Murphy-Jolly, Ashley M. Wright, Debra J. Scardino, Nathan I. Hammer, Christopher M. Lawson, and Gary M. Gray pp 2015–2027 DOI: 10.1021/ic101624y Supporting Info

Breathing and Twisting: An Investigation of Framework Deformation and Guest Packing in Single Crystals of a Microporous Vanadium Benzenedicarboxylate Xiqu Wang, Juergen Eckert, Lumei Liu, and Allan J. Jacobson pp 2028–2036 DOI: 10.1021/ic1025087 Supporting Info

Issue 06

In Vivo Participation of Artificial Porphyrins in Electron-Transport Chains: Electrochemical and Spectroscopic Analyses of Microbial Metabolism Shigeki Mori, Kazuyuki Ishii, Yuichiro Hirakawa, Ryuhei Nakamura, and Kazuhito Hashimoto pp 2037–2039 DOI: 10.1021/ic100342k Supporting Info

Enantioselective/Anion-Selective Incorporation of Tris(ethylenediamine) Complexes into 2D Coordination Spaces between Tripalladium(II) Supramolecular Layers with d-Penicillaminate Yusuke Hirai, Yoshinori Nagao, Asako Igashira-Kamiyama, and Takumi Konno pp 2040–2042 DOI: 10.1021/ic1018983 Supporting Info

Preparation of a [Ru(bpy)2(dppz)]2+-Intercalated DNA Cast Film Using a Self-Standing Method and Its Luminescence Tuning by Cu2+ Ions and EDTA Miaojing Chen, Hong Li, Jiangyang Shao, Yan Huang, and Zhenghe Xu pp 2043–2045 DOI: 10.1021/ic102128z Supporting Info

Monodispersed Pd−Ni Nanoparticles: Composition Control Synthesis and Catalytic Properties in the Miyaura−Suzuki Reaction Yuen Wu, Dingsheng Wang, Peng Zhao, Zhiqiang Niu, Qing Peng, and Yadong Li pp 2046–2048 DOI: 10.1021/ic102263b Supporting Info

Buckled Layers in K0.66Mn2O4·0.28H2O and K0.99Mn3O6·1.25H2O Synthesized at High Pressure: Implication for the Mechanism of Layer-to-Tunnel Transformation in Manganese Oxides Qingxin Chu, Xiaofeng Wang, Xinhao Zhang, Qiliang Li, and Xiaoyang Liu pp 2049–2051 DOI: 10.1021/ic102282v Supporting Info

Cadmium Sulfide and Cadmium Phosphide Thin Films from a Single Cadmium Compound Dayo Oyetunde, Mohammad Afzaal, Mark A. Vincent, Ian H. Hillier, and Paul O’Brien pp 2052–2054 DOI: 10.1021/ic102309r Supporting Info

Magnetic Behaviors of Heterospin Chains Consisting of Cobalt(II) Complexes and Dipyridylcarbenes Satoru Karasawa and Noboru Koga pp 2055–2057 DOI: 10.1021/ic102322u Supporting Info

Redox-Switchable Chromophores Based on Metal (Ni, Pd, Pt) Mixed-Ligand Dithiolene Complexes Showing Molecular Second-Order Nonlinear-Optical Activity Davide Espa, Luca Pilia, Luciano Marchiò, Maria Laura Mercuri, Angela Serpe, Alberto Barsella, Alain Fort, Simon J. Dalgleish, Neil Robertson, and Paola Deplano pp 2058–2060 DOI: 10.1021/ic102343g Supporting Info

Ln−Co-Based Rock-Salt-Type Porous Coordination Polymers: Vapor Response Controlled by Changing the Lanthanide Ion Atsushi Kobayashi, Yui Suzuki, Tadashi Ohba, Shin-ichiro Noro, Ho-Chol Chang, and Masako Kato pp 2061–2063 DOI: 10.1021/ic102361d Supporting Info

Mild P4 Activation To Give an Anionic Diphosphorus Complex with a Dual Binding Ability at a Single P Site M. Angeles Alvarez, M. Esther García, Daniel García-Vivó, Alberto Ramos, and Miguel A. Ruiz pp 2064–2066 DOI: 10.1021/ic102407s Supporting Info

Microwave-Assisted Synthesis of a Ferrimagnetic Dodecanuclear Iron(III) Complex with a Fe4(OH)4 Cubane Core Jia-Ping Tong, Feng Shao, Jun Tao, Rong-Bin Huang, and Lan-Sun Zheng pp 2067–2069 DOI: 10.1021/ic102411u Supporting Info

Tetrahedral-Shaped Anions as a Template in the Synthesis of High-Nuclearity Silver(I) Dithiophosphate Clusters Jian-Hong Liao, How-Wei Chang, Hong-Chih You, Ching-Shiang Fang, and C. W. Liu pp 2070–2072 DOI: 10.1021/ic102453q Supporting Info

Solid-State Dinuclear-to-Trinuclear Conversion in an Oxalato-Bridged Chromium(III)−Cobalt(II) Complex as a New Route toward Single-Molecule Magnets Julia Vallejo, Isabel Castro, Jesús Ferrando-Soria, Maria del Pino Déniz-Hernández, Catalina Ruiz-Pérez, Francesc Lloret, Miguel Julve, Rafael Ruiz-García, and Joan Cano pp 2073–2075 DOI: 10.1021/ic1025203 Supporting Info

Surface Activation of Electrocatalysis at Oxide Electrodes. Concerted Electron−Proton Transfer Christopher J. Gagliardi, Jonah W. Jurss, H. Holden Thorp, and Thomas J. Meyer pp 2076–2078 DOI: 10.1021/ic102524f Supporting Info

Surprising Coordination for Plutonium in the First Plutonium(III) Borate Shuao Wang, Evgeny V. Alekseev, Wulf Depmeier, and Thomas E. Albrecht-Schmitt pp 2079–2081 DOI: 10.1021/ic200064n Supporting Info

Uranyl-Glycine-Water Complexes in Solution: Comprehensive Computational Modeling of Coordination Geometries, Stabilization Energies, and Luminescence Properties Jing Su, Kai Zhang, W. H. Eugen Schwarz, and Jun Li pp 2082–2093 DOI: 10.1021/ic200204p Supporting Info

On the Roles of Solid-Bound Ligand Scavengers in the Removal of Palladium Residues and in the Distinction between Homogeneous and Heterogeneous Catalysis Lin Huang, Thiam Peng Ang, Zhan Wang, Jozel Tan, Junhui Chen, and Pui Kwan Wong pp 2094–2111 DOI: 10.1021/ic100824e Supporting Info

Theoretical Insights into the Magnetostructural Correlations in Mn3-Based Single-Molecule Magnets M. Atanasov, B. Delley, F. Neese, P. L. Tregenna-Piggott, and M. Sigrist pp 2112–2124 DOI: 10.1021/ic1023482 Supporting Info

Electrogenerated Chemiluminescence of Platinum(II) Alkynyl Terpyridine Complex with Peroxydisulfate as Coreactant Zuofeng Chen, Keith Man-Chung Wong, Eric Chi-Ho Kwok, Nianyong Zhu, Yanbing Zu, and Vivian Wing-Wah Yam pp 2125–2132 DOI: 10.1021/ic101119q Supporting Info

Dinuclear Copper Complexes Based on Parallel β-Diiminato Binding Sites and their Reactions with O2: Evidence for a Cu−O−Cu Entity Peter Haack, Christian Limberg, Kallol Ray, Beatrice Braun, Uwe Kuhlmann, Peter Hildebrandt, and Christian Herwig pp 2133–2142 DOI: 10.1021/ic101249k Supporting Info

Structural Properties of Lithium Thio-Germanate Thin Film Electrolytes Grown by Radio Frequency Sputtering Inseok Seo and Steve W. Martin pp 2143–2150 DOI: 10.1021/ic101448m

Synthesis and Antiproliferative Activity of a C,N-Cycloplatinated(II) Complex with a Potentially Intercalative Anthraquinone Pendant José Ruiz, Consuelo Vicente, Concepción de Haro, and Arturo Espinosa pp 2151–2158 DOI: 10.1021/ic101526h

Ionothermal Synthesis and Magnetic Studies of Novel Two-Dimensional Metal−Formate Frameworks Paul J. Calderone, Paul M. Forster, Lauren A. Borkowski, Simon J. Teat, Mikhail Feygenson, Meigan C. Aronson, and John B. Parise pp 2159–2167 DOI: 10.1021/ic1015548 Supporting Info

Multiple Boron−Boron Bonds in Neutral Molecules: An Insight from the Extended Transition State Method and the Natural Orbitals for Chemical Valence Scheme Mariusz P. Mitoraj and Artur Michalak pp 2168–2174 DOI: 10.1021/ic101576g

From Quantum Motifs to Assemble Nanoaggregates: The Preparation of Organo-Molybdenum Hybrid Nanostructures Xiaoming Lu, Xudong Shi, and Tao Min pp 2175–2181 DOI: 10.1021/ic101597q Supporting Info

Uniform Hollow Lu2O3:Ln (Ln = Eu3+, Tb3+) Spheres: Facile Synthesis and Luminescent Properties Piaoping Yang, Shili Gai, Yanchao Liu, Wenxin Wang, Chunxia Li, and Jun Lin pp 2182–2190 DOI: 10.1021/ic101605k

Homochiral Nickel Coordination Polymers Based on Salen(Ni) Metalloligands: Synthesis, Structure, and Catalytic Alkene Epoxidation Yuanbiao Huang, Tianfu Liu, Jingxiang Lin, Jian Lü, Zujin Lin, and Rong Cao pp 2191–2198 DOI: 10.1021/ic102181h Supporting Info

Solid-State Photoluminescence Sensitization of Tb3+ by Novel Au2Pt2 and Au2Pt4 Cyanide Clusters LeAnn Ladner, Tu Ngo, Carlos Crawford, Zerihun Assefa, and Richard E. Sykora pp 2199–2206 DOI: 10.1021/ic101836a Supporting Info

Synthesis, Crystal Structure, and Physical Properties of BaAg2Cu[VO4]2: A New Member of the S = 1/2 Triangular Lattice Ngozi E. Amuneke, Dana E. Gheorghe, Bernd Lorenz, and Angela Möller pp 2207–2214 DOI: 10.1021/ic1018554 Supporting Info

Molecule-Ion Interaction and Its Effect on Coordination Interaction Le Xin Song, Shu Zhen Pan, Lin Hong Zhu, Mang Wang, Fang Yun Du, and Jie Chen pp 2215–2223 DOI: 10.1021/ic101873w Supporting Info

Mechanistic Insight into Protonolysis and Cis−Trans Isomerization of Benzylplatinum(II) Complexes Assisted by Weak Ligand-to-Metal Interactions. A Combined Kinetic and DFT Study Emanuela Guido, Giuseppina D’Amico, Nino Russo, Emilia Sicilia, Silvia Rizzato, Alberto Albinati, Andrea Romeo, M. Rosaria Plutino, and Raffaello Romeo pp 2224–2239 DOI: 10.1021/ic101879s Supporting Info

Ratiometric Fluorescent Chemosensor for Silver Ion at Physiological pH Fang Wang, Raju Nandhakumar, Jong Hun Moon, Kwan Mook Kim, Jin Yong Lee, and Juyoung Yoon pp 2240–2245 DOI: 10.1021/ic1018967 Supporting Info

Two Stage Magnetic Ordering and Spin Idle Behavior of the Coordination Polymer Co3(OH)2(C4O4)2·3H2O Determined Using Neutron Diffraction Richard A. Mole, John A. Stride, Paul F. Henry, Markus Hoelzel, Anatoliy Senyshyn, Antonio Alberola, Carlos J. Gómez Garcia, Paul R. Raithby, and Paul T. Wood pp 2246–2251 DOI: 10.1021/ic101897a Supporting Info

Coordination Chemistry of N-Heterocyclic Stannylenes: A Combined Synthetic and Mössbauer Spectroscopy Study Stephen M. Mansell, Rolfe H. Herber, Israel Nowik, Douglas H. Ross, Christopher A. Russell, and Duncan F. Wass pp 2252–2263 DOI: 10.1021/ic101920x Supporting Info

Porous Anionic, Cationic, and Neutral Metal-Carboxylate Frameworks Constructed from Flexible Tetrapodal Ligands: Syntheses, Structures, Ion-Exchanges, and Magnetic Properties Tian-Fu Liu, Jian Lü, Chongbin Tian, Minna Cao, Zujin Lin, and Rong Cao pp 2264–2271 DOI: 10.1021/ic1019229 Supporting Info

U(VI) Uranyl Cation−Cation Interactions in Framework Germanates Jessica M. Morrison, Laura J. Moore-Shay, and Peter C. Burns pp 2272–2277 DOI: 10.1021/ic1019444 Supporting Info

Cobalt and Manganese Diphosphonates with One-, Two-, and Three-Dimensional Structures and Field-Induced Magnetic Transitions Deng-Ke Cao, Mei-Juan Liu, Jian Huang, Song-Song Bao, and Li-Min Zheng pp 2278–2287 DOI: 10.1021/ic1019668 Supporting Info

Novel Polyselenidoarsenate and Selenidoarsenate: Solvothermal Synthesis and Characterization of [Co(phen)3][As2Se2(μ-Se3)(μ-Se5)] and [Co(phen)3]2[As8Se14] Jing Zhao, Jingjing Liang, Jiangfang Chen, Yingli Pan, Yong Zhang, and Dingxian Jia pp 2288–2293 DOI: 10.1021/ic1024444 Supporting Info

Synthesis and Crystal Structure of a Layered Silicate HUS-1 with a Halved Sodalite-Cage Topology Takuji Ikeda, Yasunori Oumi, Koutaro Honda, Tsuneji Sano, Koichi Momma, and Fujio Izumi pp 2294–2301 DOI: 10.1021/ic1020065 Supporting Info

DFT Calculations for Intermediate and Active States of the Diiron Center with a Tryptophan or Tyrosine Radical in Escherichia coli Ribonucleotide Reductase Wen-Ge Han and Louis Noodleman pp 2302–2320 DOI: 10.1021/ic1020127 Supporting Info

A Porous Coordination Polymer Assembled from 8-Connected {CoII3(OH)} Clusters and Isonicotinate: Multiple Active Metal Sites, Apical Ligand Substitution, H2 Adsorption, and Magnetism Qing Chen, Jian-Bin Lin, Wei Xue, Ming-Hua Zeng, and Xiao-Ming Chen pp 2321–2328 DOI: 10.1021/ic102015g Supporting Info

Reversible Shuttle Action upon Dehydration and Rehydration Processes in Cationic Coordinatively-Bonded (4,4) Square-Grid Nets Threaded by Supramolecular Bonded Anions, {[CuII(4,4′-bpy)2(H2O)][CuII(2-pySO3)3](NO3)}·H2O Yi-Min Jiang, Zheng Yin, Kun-Huan He, Ming-Hua Zeng, and Mohamedally Kurmoo pp 2329–2333 DOI: 10.1021/ic102020g Supporting Info

Tetrachlorocarbonyliridates: Water-Soluble Carbon Monoxide Releasing Molecules Rate-Modulated by the Sixth Ligand Damian E. Bikiel, Estefanía González Solveyra, Florencia Di Salvo, Humberto M. S. Milagre, Marcos N. Eberlin, Rodrigo S. Corrêa, Javier Ellena, Darío A. Estrin, and Fabio Doctorovich pp 2334–2345 DOI: 10.1021/ic102038v Supporting Info

Anion-Induced Structures and Luminescent Properties of Chiral Lanthanide−Organic Frameworks Assembled by an Achiral Tripodal Ligand Xuhuan Yan, Zhenghong Cai, Chunli Yi, Weisheng Liu, Minyu Tan, and Yu Tang pp 2346–2353 DOI: 10.1021/ic102033d Supporting Info

Sm2−xDyxZr2O7 Pyrochlores: Probing Order−Disorder Dynamics and Multifunctionality Farheen N. Sayed, V. Grover, K. Bhattacharyya, D. Jain, A. Arya, C. G. S. Pillai, and A. K. Tyagi pp 2354–2365 DOI: 10.1021/ic200108u

Degradation Mechanism of Methyl Mercury Selenoamino Acid Complexes: A Computational Study Abu Md. Asaduzzaman and Georg Schreckenbach pp 2366–2372 DOI: 10.1021/ic1021406 Supporting Info

Addition of a Thallium Vertex to Empty and Centered Nine-Atom Deltahedral Zintl Ions of Germanium and Tin Daniel Rios, Miriam M. Gillett-Kunnath, Jacob D. Taylor, Allen G. Oliver, and Slavi C. Sevov pp 2373–2377 DOI: 10.1021/ic102152e Supporting Info

Syntheses, Crystal and Electronic Structures, and Characterizations of Quaternary Antiferromagnetic Sulfides: Ba2MFeS5 (M = Sb, Bi) Lei Geng, Wen-Dan Cheng, Hao Zhang, Chen-Sheng Lin, Wei-Long Zhang, Ye-Yu Li, and Zhang-Zhen He pp 2378–2384 DOI: 10.1021/ic102597y Supporting Info

Hydration Structure of the Ti(III) Cation as Revealed by Pulse EPR and DFT Studies: New Insights into a Textbook Case Sara Maurelli, Stefano Livraghi, Mario Chiesa, and Elio Giamello , Sabine Van Doorslaer , Cristiana Di Valentin and Gianfranco Pacchioni pp 2385–2394 DOI: 10.1021/ic1021802 Supporting Info

Stepwise 1D Growth of Luminescent Au(I)−Ag(I) Phosphine−Alkynyl Clusters: Synthesis, Photophysical, and Theoretical Studies Igor O. Koshevoy, Chia-Li Lin, Antti J. Karttunen, Janne Jänis, Matti Haukka, Sergey P. Tunik, Pi-Tai Chou, and Tapani A. Pakkanen pp 2395–2403 DOI: 10.1021/ic102204h Supporting Info

Six New Metal−Organic Frameworks Based on Polycarboxylate Acids and V-shaped Imidazole-Based Synthon: Syntheses, Crystal Structures, and Properties Jinsong Hu, Liangfang Huang, Xiaoqiang Yao, Ling Qin, Yizhi Li, Zijian Guo, Hegen Zheng, and Ziling Xue pp 2404–2414 DOI: 10.1021/ic102207n Supporting Info

Li4Cs3B7O14: Synthesis, Crystal Structure, and Optical Properties Yun Yang, Shilie Pan, Hongyi Li, Jian Han, Zhaohui Chen, Wenwu Zhao, and Zhongxiang Zhou pp 2415–2419 DOI: 10.1021/ic102214q Supporting Info

Reinvestigation of the OP4-(Li/Na)CoO2-Layered System and First Evidence of the (Li/Na/Na)CoO2 Phase with OPP9 Oxygen Stacking R. Berthelot, M. Pollet, D. Carlier, and C. Delmas pp 2420–2430 DOI: 10.1021/ic102218w

Probing Mesitylborane and Mesitylborate Ligation Within the Coordination Sphere of Cp*Ru(PiPr3)+: A Combined Synthetic, X-ray Crystallographic, and Computational Study Kevin D. Hesp, Felix O. Kannemann, Matthew A. Rankin, Robert McDonald, Michael J. Ferguson, and Mark Stradiotto pp 2431–2444 DOI: 10.1021/ic1022328 Supporting Info

Condensed Tantalaborane Clusters: Synthesis and Structures of [(Cp*Ta)2B5H7{Fe(CO)3}2] and [(Cp*Ta)2B5H9{Fe(CO)3}4] Shubhankar Kumar Bose, K. Geetharani, Babu Varghese, and Sundargopal Ghosh pp 2445–2449 DOI: 10.1021/ic102235p Supporting Info

Pentasubstituted Ferrocene and Dirhodium(II) Tetracarboxylate as Building Blocks for Discrete Fullerene-Like and Extended Supramolecular Structures Lok H. Tong, Laure Guénée, and Alan F. Williams pp 2450–2457 DOI: 10.1021/ic1021565 Supporting Info

Mechanistic and Computational Studies of the Atom Transfer Radical Addition of CCl4 to Styrene Catalyzed by Copper Homoscorpionate Complexes José María Muñoz-Molina, W. M. C. Sameera, Eleuterio Álvarez, Feliu Maseras, Tomás R. Belderrain, and Pedro J. Pérez pp 2458–2467 DOI: 10.1021/ic102279w Supporting Info

Trinuclear, Tetranuclear, and Polymeric CuII Complexes from the First Use of 2-Pyridylcyanoxime in Transition Metal Chemistry: Synthetic, Structural, and Magnetic Studies Albert Escuer, Gina Vlahopoulou, Spyros P. Perlepes, and Franz A. Mautner pp 2468–2478 DOI: 10.1021/ic102286r Supporting Info

MAPping the Chiral Inversion and Structural Transformation of a Metal-Tripeptide Complex Having Ni-Superoxide Dismutase Activity Mary E. Krause, Amanda M. Glass, Timothy A. Jackson, and Jennifer S. Laurence pp 2479–2487 DOI: 10.1021/ic102295s Supporting Info

o-Iminobenzosemiquinonate and o-Imino-p-methylbenzosemiquinonate Anion Radicals Coupled VO2+ Stabilization Amit Saha Roy, Pinaki Saha, Nirmal Das Adhikary, and Prasanta Ghosh pp 2488–2500 DOI: 10.1021/ic102296p Supporting Info

Addition of N-Heterocyclic Carbenes to a Ruthenium(VI) Nitrido Polyoxometalate: a New Route to Cyclic Guanidines Claire Besson, Jean-Hugues Mirebeau, Séverine Renaudineau, Sylvain Roland, Sébastien Blanchard, Hervé Vezin, Christine Courillon, and Anna Proust pp 2501–2506 DOI: 10.1021/ic102307w Supporting Info

Isostructural PdII and PtII Pyrophosphato Complexes: Polymorphism and Unusual Bond Character in d8−d8 Systems Nadia Marino, Christopher H. Fazen, James D. Blakemore, Christopher D. Incarvito, Nilay Hazari, and Robert P. Doyle pp 2507–2520 DOI: 10.1021/ic1023373 Supporting Info

Iron(II) Cage Complexes of N-Heterocyclic Amide and Bis(trimethylsilyl)amide Ligands: Synthesis, Structure, and Magnetic Properties Scott A. Sulway, David Collison, Joseph J. W. McDouall, Floriana Tuna, and Richard A. Layfield pp 2521–2526 DOI: 10.1021/ic102341a Supporting Info

Role of Anions and Reaction Conditions in the Preparation of Uranium(VI), Neptunium(VI), and Plutonium(VI) Borates Shuao Wang, Eric M. Villa, Juan Diwu, Evgeny V. Alekseev, Wulf Depmeier, and Thomas E. Albrecht-Schmitt pp 2527–2533 DOI: 10.1021/ic102356d Supporting Info

P123-PMMA Dual-Templating Generation and Unique Physicochemical Properties of Three-Dimensionally Ordered Macroporous Iron Oxides with Nanovoids in the Crystalline Walls Ruzhen Zhang, Hongxing Dai, Yucheng Du, Lei Zhang, Jiguang Deng, Yunsheng Xia, Zhenxuan Zhao, Xue Meng, and Yuxi Liu pp 2534–2544 DOI: 10.1021/ic1023604 Supporting Info

Study of the Conformationally Flexible, Wide Bite-Angle Diphosphine 4,6-Bis(3-diisopropylphosphinophenyl)dibenzofuran in Rhodium(I) and Palladium(II) Coordination Complexes Keying Ding, Deanna L. Miller, Victor G. Young, Jr., and Connie C. Lu pp 2545–2552 DOI: 10.1021/ic102373w Supporting Info

Lanthanide Nitrate Complexes of Tri-Isobutylphosphine Oxide: Solid State and CD2Cl2 Solution Structures Allen Bowden, Peter N. Horton, and Andrew W. G. Platt pp 2553–2561 DOI: 10.1021/ic102385p Supporting Info

Optically Active Mixed (Phthalocyaninato)(Porphyrinato) Rare Earth Triple-Decker Complexes. Synthesis, Spectroscopy, and Effective Chiral Information Transfer Jitao Lu, Yanhua Deng, Xiaomei Zhang, Nagao Kobayashi, and Jianzhuang Jiang pp 2562–2567 DOI: 10.1021/ic102393c Supporting Info

Carbophosphazene-Supported Ligand Systems Containing Pyrazole/Guanidine Coordinating Groups Vadapalli Chandrasekhar, Venkatasubbiah Krishnan, Ramachandran Azhakar, Tapas Senapati, Atanu Dey, and R. Suriya Narayanan pp 2568–2579 DOI: 10.1021/ic102415x Supporting Info

Syntheses and Crystal Structures of the closo-Borates M2[B7H7] and M[B7H8] (M = PPh4, PNP, and N(n-Bu4)): the Missing Crystal Structure in the Series [BnHn]2− (n = 6−12) Florian Schlüter and Eduard Bernhardt pp 2580–2589 DOI: 10.1021/ic102434t Supporting Info

Reevaluation of the Structure and Fundamental Physical Properties of Dawsonites by DFT Studies Zbigniew Łodziana, Georgiana Stoica, and Javier Pérez-Ramírez pp 2590–2598 DOI: 10.1021/ic102443h Supporting Info

Role of the Uranyl Oxo Group as a Hydrogen Bond Acceptor Lori A. Watson and Benjamin P. Hay pp 2599–2605 DOI: 10.1021/ic102448q Supporting Info

Reactions of Ph3Sb═S with Copper(I) Complexes Supported by N-Donor Ligands: Formation of Stable Adducts and S-Transfer Reactivity Lei Yang, Jacqui Tehranchi, and William B. Tolman pp 2606–2612 DOI: 10.1021/ic102449m Supporting Info

A Cagelike Polyanion with a Ag+ Enwrapped, [AgAs2Mo15O54]11− Yanping Zhang, Lili Li, Tao Sun, Bin Liu, Huaiming Hu, and Ganglin Xue pp 2613–2618 DOI: 10.1021/ic102459r Supporting Info

Cation−Cation “Attraction”: When London Dispersion Attraction Wins over Coulomb Repulsion Stefan Grimme and Jean-Pierre Djukic pp 2619–2628 DOI: 10.1021/ic102489k Supporting Info

Neutral Carbene Analogues of Group 13 Elements: The Dimerization Reaction to a Biradicaloid Wolfgang W. Schoeller pp 2629–2633 DOI: 10.1021/ic102525b

Influence of Schiff Base and Lanthanide Metals on the Synthesis, Stability, and Reactivity of Monoamido Lanthanide Complexes Bearing Two Schiff Bases Fubin Han, Qiaoqiao Teng, Yong Zhang, Yaorong Wang, and Qi Shen pp 2634–2643 DOI: 10.1021/ic102529d Supporting Info

Structure Resolution of Ba5Al3F19 and Investigation of Fluorine Ion Dynamics by Synchrotron Powder Diffraction, Variable-Temperature Solid-State NMR, and Quantum Computations Charlotte Martineau, Franck Fayon, Matthew R. Suchomel, Mathieu Allix, Dominique Massiot, and Francis Taulelle pp 2644–2653 DOI: 10.1021/ic102534d Supporting Info

Diazotization of the Amino Acid [closo-1-CB9H8-1-COOH-6-NH3] and Reactivity of the [closo-1-CB9H8-1-COO-6-N2]− Anion Bryan Ringstrand, Piotr Kaszynski, and Victor G. Young, Jr. pp 2654–2660 DOI: 10.1021/ic102557s Supporting Info

Characterization of Divalent and Trivalent Species Generated in the Chemical and Electrochemical Oxidation of a Dimeric Pincer Complex of Nickel Denis M. Spasyuk, Serge I. Gorelsky, Art van der Est, and Davit Zargarian pp 2661–2674 DOI: 10.1021/ic1025894 Supporting Info

Metallophilic Bonding and Agostic Interactions in Gold(I) and Silver(I) Complexes Bearing a Thiotetrazole Unit Adriana Ilie, Ciprian I. Raţ, Susanne Scheutzow, Christiane Kiske, Karin Lux, Thomas M. Klapötke, Cristian Silvestru, and Konstantin Karaghiosoff pp 2675–2684 DOI: 10.1021/ic102595d Supporting Info

Phase Transformation and Negative Thermal Expansion in TaVO5 Xiaowei Wang, Qingzhen Huang, Jinxia Deng, Ranbo Yu, Jun Chen, and Xianran Xing pp 2685–2690 DOI: 10.1021/ic200003n Supporting Info

Lewis Acid Assisted Methyl/Chlorine Exchange in Silylated Hydrazinochlorophosphanes Andrea Westenkirchner, Alexander Villinger, Konstantin Karaghiosoff, Ronald Wustrack, Dirk Michalik, and Axel Schulz pp 2691–2702 DOI: 10.1021/ic200005q Supporting Info

Correction to Structural Phase Transitions in EuC2 Derk Wandner, Pascal Link, Oliver Heyer, John Mydosh, Mahmoud A. Ahmida, Mohsen M. Abd-Elmeguid, Manfred Speldrich, Heiko Lueken, and Uwe Ruschewitz pp 2703–2703 DOI: 10.1021/ic200013z Supporting Info

Correction to Monofluoride Bridged, Binuclear Metallacycles of First Row Transition Metals Supported by Third Generation Bis(1-pyrazolyl)methane Ligands: Unusual Magnetic Properties Daniel L. Reger, Elizabeth A. Foley, Russell P. Watson, Perry J. Pellechia, Mark D. Smith, Fernande Grandjean, and Gary J. Long pp 2704–2704 DOI: 10.1021/ic2002282 Errata - link to original article

Issue 07

A Novel 9-MC-3 and 15-MC-6 Onset Stacked Metallacrown Single-Molecule Magnet: Synthesis and Crystal Structure Suna Wang, Lingqian Kong, Hua Yang, Zhoutong He, Zheng Jiang, Dacheng Li, Suyuan Zeng, Meiju Niu, You Song, and Jianmin Dou pp 2705–2707 DOI: 10.1021/ic101622d Supporting Info

Intervalence Charge-Transfer System by 1D Assembly of New Mixed-Valence Octanuclear CuI/CuII/CuIII Cluster Units Takashi Okubo, Hiroyasu Kuwamoto, Kyung Ho Kim, Shinya Hayami, Akihito Yamano, Motoo Shiro, Masahiko Maekawa, and Takayoshi Kuroda-Sowa pp 2708–2710 DOI: 10.1021/ic101794u Supporting Info

A Selective Colorimetric Hg2+ Probe Featuring a Styryl Dithiaazacrown Containing Platinum(II) Terpyridine Complex through Modulation of the Relative Strength of ICT and MLCT Transitions Sung-Kuang Chung, Yong-Ren Tseng, Chan-Yu Chen, and Shih-Sheng Sun pp 2711–2713 DOI: 10.1021/ic101908p Supporting Info

New Three-Dimensional Metal−Organic Framework with Heterometallic [Fe−Ag] Building Units: Synthesis, Crystal Structure, and Functional Studies Sanjit Nayak, Klaus Harms, and Stefanie Dehnen pp 2714–2716 DOI: 10.1021/ic1019636 Supporting Info

Assembly of [MnII2MnIII2] S = 9 Clusters via Azido Bridges: a New Single-Chain Magnet Albert Escuer, Gina Vlahopoulou, and Franz A. Mautner pp 2717–2719 DOI: 10.1021/ic102391e Supporting Info

Salen Complexes of Zirconium and Hafnium: Synthesis, Structural Characterization, Controlled Hydrolysis, and Solvent-Free Ring-Opening Polymerization of Cyclic Esters and Lactides Tanmoy Kumar Saha, Venkatachalam Ramkumar, and Debashis Chakraborty pp 2720–2722 DOI: 10.1021/ic1025262 Supporting Info

Spontaneous Formation of Novel Luminescent Dinuclear Lanthanide Complexes That Emit in the Visible and Near-IR Regions Claire Butler, Sandrine Goetz, Christopher M. Fitchett, Paul E. Kruger, and Thorfinnur Gunnlaugsson pp 2723–2725 DOI: 10.1021/ic102578k Supporting Info

Exhaustive Chlorination of [B12H12]2− without Chlorine Gas and the Use of [B12Cl12]2− as a Supporting Anion in Catalytic Hydrodefluorination of Aliphatic C−F Bonds Weixing Gu and Oleg V. Ozerov pp 2726–2728 DOI: 10.1021/ic200024u Supporting Info

A Unique Three-Dimensional Coordination Cluster Based on a Silver Carbene Complex Agnes Mrutu, Diane A. Dickie, Karen I. Goldberg, and Richard A. Kemp pp 2729–2731 DOI: 10.1021/ic200029c Supporting Info

1,1′-Azobis(tetrazole): A Highly Energetic Nitrogen-Rich Compound with a N10 Chain Thomas M. Klapötke and Davin G. Piercey pp 2732–2734 DOI: 10.1021/ic200071q Supporting Info

Stabilization of Magnetic Ordering Observed for the Bridging NCN Group Jordan L. Arthur, Curtis E. Moore, Arnold L. Rheingold, and Joel S. Miller pp 2735–2737 DOI: 10.1021/ic200083j Supporting Info

Examination of the Silver Colloid Binding Behavior of Disulfide-Tethered Bipyridine Ligands and Their fac-Tricarbonylrhenium(I) Complexes Heather J. Montgomery, Diane Pelleteret, Steven E. J. Bell, and Nicholas C. Fletcher pp 2738–2747 DOI: 10.1021/ic100932k Supporting Info

Bis(o-phenylenebis(acetylacetonato))dicopper(II): A Strained Copper(II) Dimer Exhibiting a Wide Range of Colors in the Solid State Chandi Pariya, Frank R. Fronczek, and Andrew W. Maverick pp 2748–2753 DOI: 10.1021/ic101641r Supporting Info

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 2754–2763 DOI: 10.1021/ic1017054 Supporting Info

Complexation of Metal Ions, Including Alkali-Earth and Lanthanide(III) Ions, in Aqueous Solution by the Ligand 2,2′,6′,2′′-Terpyridyl Joanna M. Hamilton, Michael J. Anhorn, Karen A. Oscarson, Joseph H. Reibenspies, and Robert D. Hancock pp 2764–2770 DOI: 10.1021/ic101742x Supporting Info

Synthesis, Structure, and Reactivity of New Tetranuclear Ru-Hbpp-Based Water-Oxidation Catalysts Laia Francàs, Xavier Sala, Eduardo Escudero-Adán, Jordi Benet-Buchholz, Lluís Escriche, and Antoni Llobet pp 2771–2781 DOI: 10.1021/ic101802y Supporting Info

Light-Induced Excited Spin State Trapping and Charge Transfer in Trigonal Bipyramidal Cyanide-Bridged Complexes Kristen E. Funck, Andrey V. Prosvirin, Corine Mathonière, Rodolphe Clérac, and Kim R. Dunbar pp 2782–2789 DOI: 10.1021/ic1018357 Supporting Info

Synthesis, Structure, and Spectroscopic Characterization of [H8−nRh22(CO)35]n− (n = 4, 5) and [H2Rh13(CO)24{Cu(MeCN)}2]− Clusters: Assessment of CV and DPV As Techniques to Circumstantiate the Presence of Elusive Hydride Atoms Davide Collini, Fabrizia Fabrizi De Biani, Dmitriy S. Dolzhnikov, Cristina Femoni, Maria C. Iapalucci, Giuliano Longoni, Cristina Tiozzo, Stefano Zacchini, and Piero Zanello pp 2790–2798 DOI: 10.1021/ic101872z Supporting Info

Comprehensive Chemical Characterization of Complexes Involving Lead-Amino Acid Interactions Cheryl D. L. Saunders, Lauren E. Longobardi, Neil Burford, Michael D. Lumsden, Ulrike Werner-Zwanziger, Banghao Chen, and Robert McDonald pp 2799–2810 DOI: 10.1021/ic101892x Supporting Info

Hydrolysis of Uranyl(VI) in Acidic and Basic Aqueous Solutions Using a Noncomplexing Organic Base: A Multivariate Spectroscopic and Statistical Study Fabienne Quilès, Chinh Nguyen-Trung, Cédric Carteret, and Bernard Humbert pp 2811–2823 DOI: 10.1021/ic101953q Supporting Info

Trifluorosulfane Ligand as an Analogue of the Nitrosyl Ligand: Highly Exothermic Fluorine Transfer Reactions from Sulfur to Metal in the Chemistry of SF3 Metal Carbonyls of the First Row Transition Metals Jianming Deng, Chaoyang Wang, Qian-shu Li, Yaoming Xie, R. Bruce King, and Henry F. Schaefer, III pp 2824–2835 DOI: 10.1021/ic101994k Supporting Info

Hydrothermal Tm3+−Lu2O3 Nanorods with Highly Efficient 2 μm Emission Fátima Esteban-Betegón, Carlos Zaldo, and Concepción Cascales pp 2836–2843 DOI: 10.1021/ic102022t Supporting Info

Three-Step Calcination Synthesis of High-Purity Li8ZrO6 with CO2 Absorption Properties Xian-Sheng Yin, Qin-Hui Zhang, and Jian-Guo Yu pp 2844–2850 DOI: 10.1021/ic102035y Supporting Info

Unprecedented Lanthanide-Containing Coordination Polymers Constructed from Hexanuclear Molecular Building Blocks: {[Ln6O(OH)8](NO3)2(bdc)(Hbdc)2·2NO3·H2bdc}∞ Guillaume Calvez, Carole Daiguebonne, and Olivier Guillou pp 2851–2858 DOI: 10.1021/ic102036q Supporting Info

Metal-Dependent and Redox-Selective Coordination Behaviors of Metalloligand [MoV(1,2-benzenedithiolato)3]− with CuI/AgI Ions Takeshi Matsumoto, Ho-Chol Chang, Atsushi Kobayashi, Kohei Uosaki, and Masako Kato pp 2859–2869 DOI: 10.1021/ic102070c Supporting Info

Synthesis and Characterization of Cerium and Yttrium Alkoxide Complexes Supported by Ferrocene-Based Chelating Ligands Erin M. Broderick, Peter S. Thuy-Boun, Neng Guo, Carola S. Vogel, Jörg Sutter, Jeffrey T. Miller, Karsten Meyer, and Paula L. Diaconescu pp 2870–2877 DOI: 10.1021/ic102076g Supporting Info

Investigation of the First-Order Phase Transition in the Co1−xMgxMoO4 Solid Solution and Discussion of the Associated Thermochromic Behavior L. C. Robertson, M. Gaudon, S. Jobic, P. Deniard, and A. Demourgues pp 2878–2884 DOI: 10.1021/ic102079f Supporting Info

Characterization of a Tricationic Trigonal Bipyramidal Iron(IV) Cyanide Complex, with a Very High Reduction Potential, and Its Iron(II) and Iron(III) Congeners Jason England, Erik R. Farquhar, Yisong Guo, Matthew A. Cranswick, Kallol Ray, Eckard Münck, and Lawrence Que, Jr. pp 2885–2896 DOI: 10.1021/ic102094d Supporting Info

The Thermal Stabilities of Luminescence and Microstructures of Eu2+-Doped KBaPO4 and NaSrPO4 with β-K2SO4 Type Structure Suyin Zhang, Yosuke Nakai, Taiju Tsuboi, Yanlin Huang, and Hyo Jin Seo pp 2897–2904 DOI: 10.1021/ic102504x Supporting Info

Direct Observation of Rare-Earth Ions in α-Sialon:Ce Phosphors Fangfang Xu, Erwan Sourty, Wei Shi, Xinliang Mou, and Linlin Zhang pp 2905–2910 DOI: 10.1021/ic102165g Supporting Info

Spin Structure of Surface-Supported Single-Molecule Magnets from Isomorphous Replacement and X-ray Magnetic Circular Dichroism Matteo Mannini, Erik Tancini, Lorenzo Sorace, Philippe Sainctavit, Marie-Anne Arrio, Yu Qian, Edwige Otero, Daniele Chiappe, Ludovica Margheriti, Julio C. Cezar, Roberta Sessoli, and Andrea Cornia pp 2911–2917 DOI: 10.1021/ic102184n Supporting Info

Syntheses, Electronic Structures, and EPR/UV−Vis−NIR Spectroelectrochemistry of Nickel(II), Copper(II), and Zinc(II) Complexes with a Tetradentate Ligand Based on S-Methylisothiosemicarbazide Vladimir B. Arion, Peter Rapta, Joshua Telser, Sergiu S. Shova, Martin Breza, Karol Lušpai, and Jozef Kožišek pp 2918–2931 DOI: 10.1021/ic102277v Supporting Info

Ultrafast Excited-State Dynamics of Rhenium(I) Photosensitizers [Re(Cl)(CO)3(N,N)] and [Re(imidazole)(CO)3(N,N)]+: Diimine Effects Amal El Nahhas, Cristina Consani, Ana María Blanco-Rodríguez, Kyle M. Lancaster, Olivier Braem, Andrea Cannizzo, Michael Towrie, Ian P. Clark, Stanislav Záliš, Majed Chergui, and Antonín Vlček, Jr. pp 2932–2943 DOI: 10.1021/ic102324p Supporting Info

Catalytic Roles of the Metal Ion in the Substrate-Binding Site of Coenzyme B12-Dependent Diol Dehydratase Takashi Kamachi, Kazuki Doitomi, Masanori Takahata, Tetsuo Toraya, and Kazunari Yoshizawa pp 2944–2952 DOI: 10.1021/ic102352b Supporting Info

Reversible Terbium Luminescent Polyelectrolyte Hydrogels for Detection of H2PO4− and HSO4− in Water Chaoliang Tan and Qianming Wang pp 2953–2956 DOI: 10.1021/ic102366v Supporting Info

Family of Cadmium Acetate Coordination Networks With Structurally Diverse [Cd4(OAc)9(μ3-OH)]2− Secondary Building Units Susan M. Vickers, Peter D. Frischmann, and Mark J. MacLachlan pp 2957–2965 DOI: 10.1021/ic1023828 Supporting Info

Crystal Structure and Morphology Evolution in the LaXO3, X = Al, Ga, In Nano-Oxide Series. Consequences for the Synthesis of Luminescent Phosphors Robert Pazik, Gulaim A. Seisenbaeva, Rafal J. Wiglusz, Leszek Kepinski, and Vadim G. Kessler pp 2966–2974 DOI: 10.1021/ic102386e

Structure−Activity Relationship of Photocytotoxic Iron(III) Complexes of Modified Dipyridophenazine Ligands Sounik Saha, Dibyendu Mallick, Ritankar Majumdar, Mithun Roy, Rajan R. Dighe, Eluvathingal D. Jemmis, and Akhil R. Chakravarty pp 2975–2987 DOI: 10.1021/ic1024229 Supporting Info

The Gas-Phase Equilibrium Structures of Si8O12(OSiMe3)8 and Si8O12(CHCH2)8 Derek A. Wann, Christopher N. Dickson, Paul D. Lickiss, Heather E. Robertson, and David W. H. Rankin pp 2988–2994 DOI: 10.1021/ic102457w Supporting Info

Long-Range Spin Coupling: A Tetraphosphine-Bridged Palladium Dimer Kuppuswamy Arumugam, Mohammed C. Shaw, Joel T. Mague, Eckhard Bill, Stephen Sproules, and James P. Donahue pp 2995–3002 DOI: 10.1021/ic102493g Supporting Info

Ordering Double Perovskite Hydroxides by Kinetically Controlled Aqueous Hydrolysis James R. Neilson, Joshua A. Kurzman, Ram Seshadri, and Daniel E. Morse pp 3003–3009 DOI: 10.1021/ic1025075

Synthesis of Monomeric Fe(II) and Ru(II) Complexes of Tetradentate Phosphines Barun Jana, Arkady Ellern, Oleg Pestovsky, Aaron Sadow, and Andreja Bakac pp 3010–3016 DOI: 10.1021/ic102510c Supporting Info

Interaction of 1,3,2,4-Benzodithiadiazines and Their 1-Se Congeners with Ph3P and Some Properties of the Iminophosphorane Products Alexander Yu. Makarov, Vladimir V. Zhivonitko, Arkady G. Makarov, Samat B. Zikirin, Irina Yu. Bagryanskaya, Victor A. Bagryansky, Yuri V. Gatilov, Irina G. Irtegova, Makhmut M. Shakirov, and Andrey V. Zibarev pp 3017–3027 DOI: 10.1021/ic102565x Supporting Info

Formation of Silicon Centered Spirocyclic Compounds: Reaction of N-Heterocyclic Stable Silylene with Benzoylpyridine, Diisopropyl Azodicarboxylate, and 1,2-Diphenylhydrazine Ramachandran Azhakar, Sankaranarayana Pillai Sarish, Gašper Tavčar, Herbert W. Roesky, Jakob Hey, Dietmar Stalke, and Debasis Koley pp 3028–3036 DOI: 10.1021/ic102566c Supporting Info

Ba3[Ge2B7O16(OH)2](OH)(H2O) and Ba3Ge2B6O16: Novel Alkaline-Earth Borogermanates Based on Two Types of Polymeric Borate Units and GeO4 Tetrahedra Jian-Han Zhang, Fang Kong, and Jiang-Gao Mao pp 3037–3043 DOI: 10.1021/ic1025697 Supporting Info

P22− and P3− Units in the [Rh8P9]δ− Polyanion of La4Rh8P9 Ulrike Pfannenschmidt, Dirk Johrendt, Frederik Behrends, Hellmut Eckert, Matthias Eul, and Rainer Pöttgen pp 3044–3051 DOI: 10.1021/ic102570x Supporting Info

Anion Dependent Redox Changes in Iron Bis-terdentate Nitroxide {NNO} Chelates Ian A. Gass, Christopher J. Gartshore, David W. Lupton, Boujemaa Moubaraki, Ayman Nafady, Alan M. Bond, John F. Boas, John D. Cashion, Carsten Milsmann, Karl Wieghardt, and Keith S. Murray pp 3052–3064 DOI: 10.1021/ic102588h Supporting Info

Synthesis of Cu1.8S and CuS from Copper-Thiourea Containing Precursors; Anionic (Cl−, NO3−, SO42−) Influence on the Product Stoichiometry Prashant Kumar, Meenakshi Gusain, and R. Nagarajan pp 3065–3070 DOI: 10.1021/ic102593h Supporting Info

A Study of the Kinetics of La3+-Promoted Methanolysis of S-Aryl Methylphosphonothioates: Possible Methodology for Decontamination of EA 2192, the Toxic Byproduct of VX Hydrolysis Basab B. Dhar, David R. Edwards, and R. Stan Brown pp 3071–3077 DOI: 10.1021/ic200007v Supporting Info

Isomeric Trimethylene and Ethylene Pendant-armed Cross-bridged Tetraazamacrocycles and in Vitro/in Vivo Comparisions of their Copper(II) Complexes Antoinette Y. Odendaal, Ashley L. Fiamengo, Riccardo Ferdani, Thaddeus J. Wadas, Daniel C. Hill, Yijie Peng, Katie J. Heroux, James A. Golen, Arnold L. Rheingold, Carolyn J. Anderson, Gary R. Weisman, and Edward H. Wong pp 3078–3086 DOI: 10.1021/ic200014w Supporting Info

Thermodynamic, Spectroscopic, and Computational Studies of Lanthanide Complexation with Diethylenetriaminepentaacetic Acid: Temperature Effect and Coordination Modes Guoxin Tian, Leigh R. Martin, Zhiyong Zhang, and Linfeng Rao pp 3087–3096 DOI: 10.1021/ic200025s Supporting Info

Additive Character of Electron Donation by Methyl Substituents within a Complete Series of Polymethylated [1-(η6-MenC6H6−n)-closo-1,2,3-FeC2B9H11] Complexes. Linear Correlations of the NMR Parameters and FeII/III Redox Potentials with the Number of Arene Methyls Bohumil Štíbr, Mario Bakardjiev, Josef Holub, Aleš Růžička, Zdeňka Padělková, and Petr Štěpnička pp 3097–3102 DOI: 10.1021/ic2000798

Synthesis, Characterization, and Cytotoxicity of Platinum(IV) Carbamate Complexes Justin J. Wilson and Stephen J. Lippard pp 3103–3115 DOI: 10.1021/ic2000816 Supporting Info

Selective Anion Binding by a Cofacial Binuclear Zinc Complex of a Schiff-Base Pyrrole Macrocycle Aline M. J. Devoille, Patricia Richardson, Nathan L. Bill, Jonathan L. Sessler, and Jason B. Love pp 3116–3126 DOI: 10.1021/ic200082r Supporting Info

Designed Iron Carbonyls as Carbon Monoxide (CO) Releasing Molecules: Rapid CO Release and Delivery to Myoglobin in Aqueous Buffer, and Vasorelaxation of Mouse Aorta Margarita A. Gonzalez, Nicole L. Fry, Richard Burt, Riddhi Davda, Adrian Hobbs, and Pradip K. Mascharak pp 3127–3134 DOI: 10.1021/ic2000848 Supporting Info

N−H Activation in N-Nitropropionamide: Coordination Chemistry of a Primary Nitroamide D. Scott Bohle and Zhijie Chua pp 3135–3140 DOI: 10.1021/ic200090u Supporting Info

QM and QM/MM Studies of Uranyl Fluorides in the Gas and Aqueous Phases and in the Hydrophobic Cavities of Tetrabrachion Samuel O. Odoh, Sean M. Walker, Markus Meier, Jörg Stetefeld, and Georg Schreckenbach pp 3141–3152 DOI: 10.1021/ic2001706 Supporting Info

Effect of the Carboxylate Shift on the Reactivity of Zinc Complexes in the Gas Phase Lucie Ducháčková, Detlef Schröder, and Jana Roithová pp 3153–3158 DOI: 10.1021/ic2002767 Supporting Info

Synthesis, Electronic Structure, and Catalytic Activity of Reduced Bis(aldimino)pyridine Iron Compounds: Experimental Evidence for Ligand Participation Sarah K. Russell, Carsten Milsmann, Emil Lobkovsky, Thomas Weyhermüller, and Paul J. Chirik pp 3159–3169 DOI: 10.1021/ic102186q Supporting Info

Issue 08

Tuning of the o-Carom−N Bond-Formation Reactivity of Aniline Using Ruthenium(II) Templates Subhas Samanta and Sreebrata Goswami pp 3171–3173 DOI: 10.1021/ic101868w Supporting Info

Selective Surface and Near-Surface Modification of a Noncatenated, Catalytically Active Metal-Organic Framework Material Based on Mn(salen) Struts Abraham M. Shultz, Omar K. Farha, Debashis Adhikari, Amy A. Sarjeant, Joseph T. Hupp, and SonBinh T. Nguyen pp 3174–3176 DOI: 10.1021/ic101952y Supporting Info

Construction of Two 3D Homochiral Frameworks with 1D Chiral Pores via Chiral Recognition Huan-Yong Li, Long Jiang, Hua Xiang, Trevor A. Makal, Hong-Cai Zhou, and Tong-Bu Lu pp 3177–3179 DOI: 10.1021/ic200264s Supporting Info

Adenine Coordination around a Cu6I6 Core Rajneesh Kumar Prajapati and Sandeep Verma pp 3180–3182 DOI: 10.1021/ic200188a Supporting Info

Folding of a Supramolecular Framework Based on a Tetrametallic Clip Driven by π−π Interactions Tomohiro Agou, Manuel Sébastian, Christophe Lescop, and Régis Réau pp 3183–3185 DOI: 10.1021/ic200268c Supporting Info

Salts of the Lewis-Acidic Dianion [Hg(closo-1-CB11F11)2]2−: Coordination of Acetonitrile and Water Alexander Himmelspach, Manfred Zähres, and Maik Finze pp 3186–3188 DOI: 10.1021/ic200330d Supporting Info

Fluorescent Zinc(II) Complex Exhibiting “On-Off-On” Switching Toward Cu2+ and Ag+ Ions Rampal Pandey, Prashant Kumar, Ashish Kumar Singh, Mohammad Shahid, Pei-zhou Li, Sanjay Kumar Singh, Qiang Xu, Arvind Misra, and Daya Shankar Pandey pp 3189–3197 DOI: 10.1021/ic1018086 Supporting Info

Synthesis, Structure, and Photoluminescent Properties of Metal−Organic Coordination Polymers Assembled with Bithiophenedicarboxylic Acid Jiao Zhao, Xiu-Li Wang, Xin Shi, Qi-Hua Yang, and Can Li pp 3198–3205 DOI: 10.1021/ic101112b Supporting Info

Nitric Oxide Reduction of Copper(II) Complexes: Spectroscopic Evidence of Copper(II)−Nitrosyl Intermediate Moushumi Sarma and Biplab Mondal pp 3206–3212 DOI: 10.1021/ic1011988 Supporting Info

W-Knotted Chain {[CuII(dien)]4[WV(CN)8]}5+∞: Synthesis, Crystal Structure, Magnetism, and Theory Robert Podgajny, Robert Pełka, Cédric Desplanches, Laurent Ducasse, Wojciech Nitek, Tomasz Korzeniak, Olaf Stefanczyk, Michał Rams, Barbara Sieklucka, and Michel Verdaguer pp 3213–3222 DOI: 10.1021/ic101335a Supporting Info

Metal-Mediated Reaction Modeled on Nature: The Activation of Isothiocyanates Initiated by Zinc Thiolate Complexes Wilhelm A. Eger, Martin Presselt, Burkhard O. Jahn, Michael Schmitt, Jürgen Popp, and Ernst Anders pp 3223–3233 DOI: 10.1021/ic101464j Supporting Info

Interplay among Aromaticity, Magnetism, and Nonlinear Optical Response in All-Metal Aromatic Systems Satadal Paul and Anirban Misra pp 3234–3246 DOI: 10.1021/ic101658a Supporting Info

Corroles Cannot Ruffle Kolle E. Thomas, Jeanet Conradie, Lars Kristian Hansen, and Abhik Ghosh pp 3247–3251 DOI: 10.1021/ic1017032 Supporting Info

Ferrocenyl Functionalized Silver-Chalcogenide Nanoclusters Daniel G. MacDonald, Christian Kübel, and John F. Corrigan pp 3252–3261 DOI: 10.1021/ic101717z Supporting Info

HNO and NO Release from a Primary Amine-Based Diazeniumdiolate As a Function of pH Debra J. Salmon, Claudia L. Torres de Holding, Lynta Thomas, Kyle V. Peterson, Gens P. Goodman, Joseph E. Saavedra, Aloka Srinivasan, Keith M. Davies, Larry K. Keefer, and Katrina M. Miranda pp 3262–3270 DOI: 10.1021/ic101736e

Electronic Optimization of Heteroleptic Ru(II) Bipyridine Complexes by Remote Substituents: Synthesis, Characterization, and Application to Dye-Sensitized Solar Cells Won-Sik Han, Jung-Kyu Han, Hyun-Young Kim, Mi Jin Choi, Yong-Soo Kang, Chyongjin Pac, and Sang Ook Kang pp 3271–3280 DOI: 10.1021/ic101909e Supporting Info

Compression Behaviors of Binary Skutterudite CoP3 in Noble Gases up to 40 GPa at Room Temperature Ken Niwa, Daisuke Nomichi, Masashi Hasegawa, Taku Okada, Takehiko Yagi, and Takumi Kikegawa pp 3281–3285 DOI: 10.1021/ic101916c

Synthesis, Magnetic Properties, and Magnetic Structure of a Natrochalcite Structural Variant, KMII2D3O2(MoO4)2 (M = Mn, Fe, or Co) Wassim Maalej, Serge Vilminot, Gilles André, Françoise Damay, Zakaria Elaoud, Tahar Mhiri, and Mohamedally Kurmoo pp 3286–3294 DOI: 10.1021/ic101949m Supporting Info

Effect of the Addition of a Fused Donor−Acceptor Ligand on a Ru(II) Complex: Synthesis, Characterization, and Photoinduced Electron Transfer Reactions of [Ru(TTF-dppz)2(Aqphen)]2+ Nathalie Dupont, Ying-Fen Ran, Hong-Peng Jia, Jakob Grilj, Jie Ding, Shi-Xia Liu, Silvio Decurtins, and Andreas Hauser pp 3295–3303 DOI: 10.1021/ic101951n Supporting Info

High Temperature NMR Study of Aluminum Metal Influence on Speciation in Molten NaF-AlF3 Fluorides Ioana Nuta, Emmanuel Veron, Guy Matzen, and Catherine Bessada pp 3304–3312 DOI: 10.1021/ic1019845

Hydrogen and Methanol Exchange Processes for (TMP)Rh-OCH3(CH3OH) in Binary Solutions of Methanol and Benzene Sounak Sarkar, Shan Li, and Bradford B. Wayland pp 3313–3319 DOI: 10.1021/ic1020466 Supporting Info

Porous ZnCo2O4 Nanowires Synthesis via Sacrificial Templates: High-Performance Anode Materials of Li-Ion Batteries Ning Du, Yanfang Xu, Hui Zhang, Jingxue Yu, Chuanxin Zhai, and Deren Yang pp 3320–3324 DOI: 10.1021/ic102129w

Peculiarities of the Complexation of Copper and Silver Adducts of a 3,5-Bis(trifluoromethyl)pyrazolate Ligand with Organoiron Compounds Victoria N. Tsupreva, Alexey A. Titov, Oleg A. Filippov, Alexey N. Bilyachenko, Alexander F. Smol’yakov, Fedor M. Dolgushin, Denis V. Agapkin, Ivan A. Godovikov, Lina M. Epstein, and Elena S. Shubina pp 3325–3331 DOI: 10.1021/ic102132v Supporting Info

Complete Titanium Substitution by Boron in a Tetragonal Prism: Exploring the Complex Boride Series Ti3−xRu5−yIryB2+x (0 ≤ x ≤ 1 and 1 < y < 3) by Experiment and Theory Boniface P. T. Fokwa and Martin Hermus pp 3332–3341 DOI: 10.1021/ic102148x Supporting Info

31P NMR Studies Demonstrating the Assembly of catena-Phosphorus Frameworks from Chlorophosphinochlorophosphonium Cations Yuen-ying Carpenter, Neil Burford, Michael, D. Lumsden, and Robert McDonald pp 3342–3353 DOI: 10.1021/ic102150s Supporting Info

Unusual Dinuclear and Mononuclear Cyclometalated Iridium Complexes of 2,5-Diaryl-1,3,4-oxadiazole Derivatives Yonghao Zheng, Andrei S. Batsanov, and Martin R. Bryce pp 3354–3362 DOI: 10.1021/ic102153x Supporting Info

Group 4 Complexes of a tert-Butylphosphine-Bridged Biphenolate Ligand Lan-Chang Liang, Yu-Lin Hsu, and Sheng-Ta Lin pp 3363–3372 DOI: 10.1021/ic102194z Supporting Info

Tuning and Switching MLCT Phosphorescence of [Ru(bpy)3]2+ Complexes with Triarylboranes and Anions Yi Sun, Zachary M. Hudson, Yingli Rao, and Suning Wang pp 3373–3378 DOI: 10.1021/ic1021966 Supporting Info

Sulfur Dioxide in Water: Structure and Dynamics Studied by an Ab Initio Quantum Mechanical Charge Field Molecular Dynamics Simulation Syed Tarique Moin, Len Herald V. Lim, Thomas S. Hofer, Bernhard R. Randolf, and Bernd M. Rode pp 3379–3386 DOI: 10.1021/ic102240p

Controlled Fabrication and Shape-Dependent Luminescence Properties of Hexagonal NaCeF4, NaCeF4:Tb3+ Nanorods via Polyol-Mediated Solvothermal Route Xuesong Qu, Hyun Kyoung Yang, Guohui Pan, Jong Won Chung, Byung Kee Moon, Byung Chun Choi, and Jung Hyun Jeong pp 3387–3393 DOI: 10.1021/ic1022467 Supporting Info

Can Human Prolidase Enzyme Use Different Metals for Full Catalytic Activity? Marta E. Alberto, Monica Leopoldini, and Nino Russo pp 3394–3403 DOI: 10.1021/ic1022517

Photocatalytic H2 Production from Water with Rhenium and Cobalt Complexes Benjamin Probst, Miguel Guttentag, Alexander Rodenberg, Peter Hamm, and Roger Alberto pp 3404–3412 DOI: 10.1021/ic102317u Supporting Info

Mechanistic Studies on the Reactions of Cyanide with a Water-Soluble Fe(III) Porphyrin and Their Effect on the Binding of NO Maria Oszajca, Alicja Franke, Małgorzata Brindell, Grażyna Stochel, and Rudi van Eldik pp 3413–3424 DOI: 10.1021/ic1023345

Mechanistic Studies on the Water-Oxidizing Reaction of Homogeneous Manganese-Based Catalysts: Isolation and Characterization of a Suggested Catalytic Intermediate Gustav Berggren, Anders Thapper, Ping Huang, Lars Eriksson, Stenbjörn Styring, and Magnus F. Anderlund pp 3425–3430 DOI: 10.1021/ic102336a Supporting Info

Photoluminescent Copper(I) Complexes with Amido-Triazolato Ligands Gerald F. Manbeck, William W. Brennessel, and Richard Eisenberg pp 3431–3441 DOI: 10.1021/ic102338g Supporting Info

Three-Dimensional Pillar-Layered Copper(II) Metal−Organic Framework with Immobilized Functional OH Groups on Pore Surfaces for Highly Selective CO2/CH4 and C2H2/CH4 Gas Sorption at Room Temperature Zhenxia Chen, Shengchang Xiang, Hadi D. Arman, Jalal U. Mondal, Peng Li, Dongyuan Zhao, and Banglin Chen pp 3442–3446 DOI: 10.1021/ic102347b Supporting Info

Probing the Structural Origins of Vapochromism of a Triarylboron-Functionalized Platinum(II) Acetylide by Optical and Multinuclear Solid-State NMR Spectroscopy Zachary M. Hudson, Christina Sun, Kristopher J. Harris, Bryan E. G. Lucier, Robert W. Schurko, and Suning Wang pp 3447–3457 DOI: 10.1021/ic102349h Supporting Info

Isolation, Characterization, and DNA Binding Kinetics of Three Dirhodium(II,II) Carboxyamidate Complexes: Rh2(μ-L)(HNOCCF3)3 where L= [OOCCH3]−, [OOCCF3]−, or [HNOCCF3]− Shari U. Dunham, Todd S. Remaley, Bryn S. Moore, Debra L. Evans, and Stephen U. Dunham pp 3458–3463 DOI: 10.1021/ic1023532 Supporting Info

Weak Ferromagnetism and Strong Spin−Spin Interaction Mediated by the Mixed-Valence Ethynyltetrathiafulvalene-Type Ligand Junichi Nishijo, Ken Judai, and Nobuyuki Nishi pp 3464–3470 DOI: 10.1021/ic102384s Supporting Info

Kinetics of the Exchange Reactions between Gd(DTPA)2−, Gd(BOPTA)2−, and Gd(DTPA-BMA) Complexes, Used As MRI Contrast Agents, and the Triethylenetetraamine-Hexaacetate Ligand Zoltán Pálinkás, Zsolt Baranyai, Ernő Brücher, and Béla Rózsa pp 3471–3478 DOI: 10.1021/ic102390p Supporting Info

Electrochemistry and Spectroelectrochemistry of Bismanganese Porphyrin-Corrole Dyads Ping Chen, Maya El Ojaimi, Claude P. Gros, Philippe Richard, Jean-Michel Barbe, Roger Guilard, Jing Shen, and Karl M. Kadish pp 3479–3489 DOI: 10.1021/ic102399g Supporting Info

Synthesis and Catalytic Properties of Molybdenum(VI) Complexes with Tris(3,5-dimethyl-1-pyrazolyl)methane Patrícia Neves, Sandra Gago, Salete S. Balula, André D. Lopes, Anabela A. Valente, Luís Cunha-Silva, Filipe A. Almeida Paz, Martyn Pillinger, João Rocha, Carlos M. Silva, and Isabel S. Gonçalves pp 3490–3500 DOI: 10.1021/ic102456z Supporting Info

Spacer-Dependent Structural and Physicochemical Diversity in Copper(II) Complexes with Salicyloyl Hydrazones: A Monomer and Soluble Polymers Dariusz Matoga, Janusz Szklarzewicz, Ryszard Gryboś, Katarzyna Kurpiewska, and Wojciech Nitek pp 3501–3510 DOI: 10.1021/ic1024586 Supporting Info

Unexpected Metal-Induced Isomerisms and Phosphoryl Migrations in Pt(II) and Pd(II) Complexes of the Functional Phosphine 2-(Bis(diphenylphosphino)methyl)-oxazoline Shuanming Zhang, Roberto Pattacini, and Pierre Braunstein pp 3511–3522 DOI: 10.1021/ic1024422 Supporting Info

Unusual Ligand Transformations Initiated by dppm Deprotonation in Methylene-Bridged Rh/Os Complexes Kyle D. Wells, Robert McDonald, Michael J. Ferguson, and Martin Cowie pp 3523–3538 DOI: 10.1021/ic102470j Supporting Info

Hydrido Phosphanido Bridged Polynuclear Complexes Obtained by Protonation of a Phosphinito Bridged Pt(I) Complex with HBF4 and HF Mario Latronico, Piero Mastrorilli, Vito Gallo, Maria Michela Dell’Anna, Francesco Creati, Nazzareno Re, and Ulli Englert pp 3539–3558 DOI: 10.1021/ic102475e Supporting Info

Structural Evolution and Properties of Solid Solutions of Hexagonal InMnO3 and InGaO3 Dmitriy A. Rusakov, Alexei A. Belik, Stanislav Kamba, Maxim Savinov, Dmitry Nuzhnyy, Taras Kolodiazhnyi, Kazunari Yamaura, Eiji Takayama-Muromachi, Fedir Borodavka, and Jan Kroupa pp 3559–3566 DOI: 10.1021/ic102477c Supporting Info

Benzoannelation Stabilizes the dxy1 State of Low-Spin Iron(III) Porphyrinates Takahisa Ikeue, Makoto Handa, Adam Chamberlin, Abhik Ghosh, Owendi Ongayi, M. Graça H. Vicente, Akira Ikezaki, and Mikio Nakamura pp 3567–3581 DOI: 10.1021/ic1024873 Supporting Info

On the Nature of the Spin Frustration in the CuO2 Ribbon Chains of LiCuVO4: Crystal Structure Determination at 1.6 K, Magnetic Susceptibility Analysis, and Density Functional Evaluation of the Spin Exchange Constants Hyun-Joo Koo, Changhoon Lee, Myung-Hwan Whangbo, Garry J. McIntyre, and Reinhard K. Kremer pp 3582–3588 DOI: 10.1021/ic102518t

Polyamine-Stabilized Sodium Aryloxides: Simple Initiators for the Ring-Opening Polymerization of rac-Lactide Beatriz Calvo, Matthew G. Davidson, and Daniel García-Vivó pp 3589–3595 DOI: 10.1021/ic102542q Supporting Info

In Situ X-ray Diffraction Study of Cesium Exchange in Synthetic Umbite Christopher S. Fewox and Abraham Clearfield , Aaron J. Celestian pp 3596–3604 DOI: 10.1021/ic102546w Supporting Info

Liquid−Liquid Biphasic Synthesis of Layered Zinc Hydroxides Intercalated with Long-Chain Carboxylate Ions and Their Conversion into ZnO Nanostructures Sara Inoue and Shinobu Fujihara pp 3605–3612 DOI: 10.1021/ic1025729 Supporting Info

Microwave-Assisted Solvothermal Synthesis and Characterization of Metastable LiFe1−x(VO)xPO4 Cathodes Katharine L. Harrison and Arumugam Manthiram pp 3613–3620 DOI: 10.1021/ic1025747

Synthesis, Structures, and Magnetic Behavior of a Series of Copper(II) Azide Polymers of Cu4 Building Clusters and Isolation of a New Hemiaminal Ether as the Metal Complex Sandip Mukherjee, Bappaditya Gole, You Song, and Partha Sarathi Mukherjee pp 3621–3631 DOI: 10.1021/ic102580a Supporting Info

Combined Experimental and Computational Study of cis-trans Isomerism in Bis(l-valinato)copper(II) Marijana Marković, Nenad Judaš, and Jasmina Sabolović pp 3632–3644 DOI: 10.1021/ic102585f Supporting Info

Water Attack Umpolung Aromatic Systems To Release Hydrogen Tsun-Ren Chen, Hsiu-Pen Lee, and Jhy-Der Chen pp 3645–3650 DOI: 10.1021/ic1025944 Supporting Info

Edge- versus Vertex-Inversion at Trigonal Pyramidal Ge(II) Centers—A New Aromatic Anchimerically Assisted Edge-Inversion Mechanism Keith Izod, Ewan R. Clark, and John Stewart pp 3651–3661 DOI: 10.1021/ic200012v Supporting Info

Unraveling the Roles of the Acid Medium, Experimental Probes, and Terminal Oxidant, (NH4)2[Ce(NO3)6], in the Study of a Homogeneous Water Oxidation Catalyst Derek J. Wasylenko, Chelladurai Ganesamoorthy, Matthew A. Henderson, and Curtis P. Berlinguette pp 3662–3672 DOI: 10.1021/ic2000188 Supporting Info

Synthesis and Characterization of Pd Complexes of a Carbazolyl/Bis(Imine) NNN Pincer Ligand Aaron M. Hollas, Weixing Gu, Nattamai Bhuvanesh, and Oleg V. Ozerov pp 3673–3679 DOI: 10.1021/ic200026p Supporting Info

Ratiometric Fluorescent Sensor Based on Inhibition of Resonance for Detection of Cadmium in Aqueous Solution and Living Cells Lin Xue, Guoping Li, Qing Liu, Huanhuan Wang, Chun Liu, Xunlei Ding, Shenggui He, and Hua Jiang pp 3680–3690 DOI: 10.1021/ic200032e Supporting Info

Synthesis of Phase-Pure Interpenetrated MOF-5 and Its Gas Sorption Properties Hyunuk Kim, Sunirban Das, Min Gyu Kim, Danil N. Dybtsev, Yonghwi Kim, and Kimoon Kim pp 3691–3696 DOI: 10.1021/ic200054b Supporting Info

Metal-Free and Dicopper(II) Complexes of Schiff Base [2 + 2] Macrocycles Derived from 2,2′-Iminobisbenzaldehyde: Syntheses, Structures, and Electrochemistry Scott A. Cameron and Sally Brooker pp 3697–3706 DOI: 10.1021/ic200059n Supporting Info

Influence of Mixed Thiolate/Thioether versus Dithiolate Coordination on the Accessibility of the Uncommon +I and +III Oxidation States for the Nickel Ion: An Experimental and Computational Study Marcello Gennari, Maylis Orio, Jacques Pécaut, Eberhard Bothe, Frank Neese, Marie-Noëlle Collomb, and Carole Duboc pp 3707–3716 DOI: 10.1021/ic200063d Supporting Info

Interaction of VO2+ Ion and Some Insulin-Enhancing Compounds with Immunoglobulin G Daniele Sanna, Giovanni Micera, and Eugenio Garribba pp 3717–3728 DOI: 10.1021/ic200087p Supporting Info

Activation of Carbodiimide and Transformation with Amine to Guanidinate Group by Ln(OAr)3(THF)2 (Ln: Lanthanide and Yttrium) and Ln(OAr)3(THF)2 as a Novel Precatalyst for Addition of Amines to Carbodiimides: Influence of Aryloxide Group Yang Cao, Zhu Du, Wenbo Li, Junmei Li, Yong Zhang, Fan Xu, and Qi Shen pp 3729–3737 DOI: 10.1021/ic200091s Supporting Info

Ammonium Octahydrotriborate (NH4B3H8): New Synthesis, Structure, and Hydrolytic Hydrogen Release Zhenguo Huang, Xuenian Chen, Teshome Yisgedu, Edward A. Meyers, Sheldon G. Shore, and Ji-Cheng Zhao pp 3738–3742 DOI: 10.1021/ic2000987 Supporting Info

An Incommensurately Modulated Structure of η′-Phase of Cu3+xSi Determined by Quantitative Electron Diffraction Tomography Lukáš Palatinus, Mariana Klementová, Vladislav Dřínek, Markéta Jarošová, and Václav Petříček pp 3743–3751 DOI: 10.1021/ic200102z Supporting Info

Why Are [P(C6H5)4]+N3− and [As(C6H5)4]+N3− Ionic Salts and Sb(C6H5)4N3 and Bi(C6H5)4N3 Covalent Solids? A Theoretical Study Provides an Unexpected Answer Karl O. Christe, Ralf Haiges, Jerry A. Boatz, H. Donald Brooke Jenkins, Edward B. Garner, and David A. Dixon pp 3752–3756 DOI: 10.1021/ic2001078 Supporting Info

EXAFS−XANES Evidence of in Situ Cesium Reduction in Cs−Ru/C Catalysts for Ammonia Synthesis Ilenia Rossetti, Laura Sordelli, Paolo Ghigna, Sonia Pin, Marco Scavini, and Lucio Forni pp 3757–3765 DOI: 10.1021/ic2001656

Synthesis, Isolation, and Addition Patterns of Trifluoromethylated D5h and Ih Isomers of Sc3N@C80: Sc3N@D5h-C80(CF3)18 andSc3N@Ih-C80(CF3)14 Shangfeng Yang, Chuanbao Chen, Mingzhi Jiao, Nadezhda B. Tamm, Maria A. Lanskikh, Erhard Kemnitz, and Sergey I. Troyanov pp 3766–3771 DOI: 10.1021/ic200174u Supporting Info

Macrocyclic Receptor Showing Extremely High Sr(II)/Ca(II) and Pb(II)/Ca(II) Selectivities with Potential Application in Chelation Treatment of Metal Intoxication Raquel Ferreirós-Martínez, David Esteban-Gómez, Éva Tóth, Andrés de Blas, Carlos Platas-Iglesias, and Teresa Rodríguez-Blas pp 3772–3784 DOI: 10.1021/ic200182e Supporting Info

Metal Ion Complexing Properties of Dipyridoacridine, a Highly Preorganized Tridentate Homologue of 1,10-Phenanthroline Joanna M. Hamilton, Jason R. Whitehead, Neil J. Williams, Maya El Ojaimi, Randolph P. Thummel, and Robert D. Hancock pp 3785–3790 DOI: 10.1021/ic200184c

Chalcogenophilicity of Mercury Abu Md. Asaduzzaman and Georg Schreckenbach pp 3791–3798 DOI: 10.1021/ic200199b Supporting Info

RbCN3H4: The First Structurally Characterized Salt of a New Class of Guanidinate Compounds Veronika Hoepfner and Richard Dronskowski pp 3799–3803 DOI: 10.1021/ic2002089 Supporting Info

Phosphorescence vs Fluorescence in Cyclometalated Platinum(II) and Iridium(III) Complexes of (Oligo)thienylpyridines Dmitry N. Kozhevnikov, Valery N. Kozhevnikov, Marsel Z. Shafikov, Anton M. Prokhorov, Duncan W. Bruce, and J. A. Gareth Williams pp 3804–3815 DOI: 10.1021/ic200210e Supporting Info

How Does the Nickel Pincer Complex Catalyze the Conversion of CO2 to a Methanol Derivative? A Computational Mechanistic Study Fang Huang, Chenggen Zhang, Jinliang Jiang, Zhi-Xiang Wang, and Hairong Guan pp 3816–3825 DOI: 10.1021/ic200221a Supporting Info

Combined Triple and Double Bonds to Uranium: The N≡U═N−H Uranimine Nitride Molecule Prepared in Solid Argon Xuefeng Wang and Lester Andrews , Bess Vlaisavljevich and Laura Gagliardi pp 3826–3831 DOI: 10.1021/ic2003244

Freezing in Resonance Structures for Better Packing: XeF2 Becomes (XeF+)(F−) at Large Compression Dominik Kurzydłowski, Patryk Zaleski-Ejgierd, Wojciech Grochala, and Roald Hoffmann pp 3832–3840 DOI: 10.1021/ic200371a Supporting Info

Correction to Isostructural Single-Chain and Single-Molecule Magnets Patrick L. Feng, Casey J. Stephenson, and David N. Hendrickson pp 3841–3841 DOI: 10.1021/ic200422q Errata - link to original article

Issue 09

Two Three-Dimensional 2p−3d−4f Heterometallic Frameworks Featuring a Ln6Cu24Na12 Cluster as a Node Gui-Lin Zhuang, Wen-Xian Chen, Hai-Xia Zhao, Xiang-Jian Kong, La-Sheng Long, Rong-Bin Huang, and Lan-Sun Zheng pp 3843–3845 DOI: 10.1021/ic200077r Supporting Info

C−N Bond-Forming Self-Condensation of Amide Promoted by MoCl5 at Room Temperature Sara Dolci, Fabio Marchetti, Guido Pampaloni, and Stefano Zacchini pp 3846–3848 DOI: 10.1021/ic2001199 Supporting Info

Raising the Spin of FeIII7 Disklike Clusters: The Power of Molecular Spin Frustration Shreya Mukherjee, Rashmi Bagai, Khalil A. Abboud, and George Christou pp 3849–3851 DOI: 10.1021/ic200256j Supporting Info

Dangling Thiyl Radical: Stabilized in [PPh4]2[(bdt)WVI(O)(μ-S)2CuI(SC6H4S•)] Moumita Bose, Golam Moula, Ameerunisha Begum, and Sabyasachi Sarkar pp 3852–3854 DOI: 10.1021/ic200258u Supporting Info

Structural, Magnetic, and Gas Adsorption Study of a Series of Partially Fluorinated Metal−Organic Frameworks (HF-MOFs) Pradip Pachfule, Raja Das, Pankaj Poddar, and Rahul Banerjee pp 3855–3865 DOI: 10.1021/ic1017246 Supporting Info

Synthesis, Characterization, and Reactivity Studies of Heterodinuclear Complexes Modeling Active Sites in Purple Acid Phospatases Martin Jarenmark, Matti Haukka, Serhiy Demeshko, Felix Tuczek, Luca Zuppiroli, Franc Meyer, and Ebbe Nordlander pp 3866–3887 DOI: 10.1021/ic1020324 Supporting Info

Targeting Intermediates of [FeFe]-Hydrogenase by CO and CN Vibrational Signatures Lian Yu, Claudio Greco, Maurizio Bruschi, Ulf Ryde, Luca De Gioia, and Markus Reiher pp 3888–3900 DOI: 10.1021/ic102039z Supporting Info

High-Pressure Synthesis and Superconductivity of a New Binary Lanthanum Germanide LaGe3 with Triangular Ge3 Cluster Units Hiroshi Fukuoka, Koichiro Suekuni, Takahiro Onimaru, and Kei Inumaru pp 3901–3906 DOI: 10.1021/ic102077k

New Nickel Gallium Boride, B14Ga3Ni27: Synthesis and Crystal Structure Monique Tillard and Claude Belin pp 3907–3912 DOI: 10.1021/ic102212n Supporting Info

Selective Americium(III) Complexation by Dithiophosphinates: A Density Functional Theoretical Validation for Covalent Interactions Responsible for Unusual Separation Behavior from Trivalent Lanthanides Arunasis Bhattacharyya, Tapan Kumar Ghanty, Prasanta Kumar Mohapatra, and Vijay Kumar Manchanda pp 3913–3921 DOI: 10.1021/ic102238c

New Phenoxido-Bridged Quasi-Tetrahedral and Rhomboidal [Cu4] Compounds Bearing μ4-Oxido or μ1,1-Azido Ligands: Synthesis, Chemical Reactivity, and Magnetic Studies Mrinal Sarkar, Rodolphe Clérac, Corine Mathonière, Nigel G. R. Hearns, Valerio Bertolasi, and Debashis Ray pp 3922–3933 DOI: 10.1021/ic102226j Supporting Info

Selective Inactivation of Serine Proteases by Nonheme Iron Complexes Jai Prakash and Jeremy J. Kodanko pp 3934–3945 DOI: 10.1021/ic102320j Supporting Info

The Classic “Brown-Ring” Reaction in a New Medium: Kinetics, Mechanism, and Spectroscopy of the Reversible Binding of Nitric Oxide to Iron(II) in an Ionic Liquid Svetlana Begel, Frank W. Heinemann, Grzegorz Stopa, Grazyna Stochel, and Rudi van Eldik pp 3946–3958 DOI: 10.1021/ic1023357 Supporting Info

Near-Infrared Absorbing and Emitting RuII−PtII Heterodimetallic Complexes of Dpdpz (Dpdpz = 2,3-Di(2-pyridyl)-5,6-diphenylpyrazine) Si-Hai Wu, Stephen E. Burkhardt, Jiannian Yao, Yu-Wu Zhong, and Héctor D. Abruña pp 3959–3969 DOI: 10.1021/ic1023696 Supporting Info

Stack Pattern of the Countercation-Modulating Magnetic Property of Low-Dimensional [Pt(mnt)2]− Monoanion Spin Systems Wen-Bo Pei, Jian-Sheng Wu, Zheng-Fang Tian, Xiao-Ming Ren, and You Song pp 3970–3980 DOI: 10.1021/ic102406u Supporting Info

Orange and Yellow Crystals of Copper(I) Complexes Bearing 8-(Diphenylphosphino)quinoline: A Pair of Distortion Isomers of an Intrinsic Tetrahedral Complex Takayoshi Suzuki, Hiroshi Yamaguchi, Akira Hashimoto, Koichi Nozaki, Mototsugu Doi, Naoya Inazumi, Noriaki Ikeda, Satoshi Kawata, Masaaki Kojima, and Hideo D. Takagi pp 3981–3987 DOI: 10.1021/ic1024636 Supporting Info

Fe-Site Substitution Effect on the Structural and Magnetic Properties in SrFeO2 Liis Seinberg, Takafumi Yamamoto, Cédric Tassel, Yoji Kobayashi, Naoaki Hayashi, Atsushi Kitada, Yuji Sumida, Takashi Watanabe, Masakazu Nishi, Kenji Ohoyama, Kazuyoshi Yoshimura, Mikio Takano, Werner Paulus, and Hiroshi Kageyama pp 3988–3995 DOI: 10.1021/ic102467u Supporting Info

Mechanism of Al3+-Catalyzed Oxidations of Hydrocarbons: Dramatic Activation of H2O2 toward O−O Homolysis in Complex [Al(H2O)4(OOH)(H2O2)]2+ Explains the Formation of HO• Radicals Maxim L. Kuznetsov, Yuriy N. Kozlov, Dalmo Mandelli, Armando J. L. Pombeiro, and Georgiy B. Shul’pin pp 3996–4005 DOI: 10.1021/ic102476x Supporting Info

Two Novel Cyanide-Bridged Bimetallic Magnetic Chains Derived from Manganese(III) Schiff Bases and Hexacyanochromate(III) Building Blocks Chun Yang, Qing-Lun Wang, Jing Qi, Yue Ma, Shi-Ping Yan, Guang-Ming Yang, Peng Cheng, and Dai-Zheng Liao pp 4006–4015 DOI: 10.1021/ic102495t Supporting Info

Mononuclear FeII Single-Molecule Magnets: A Theoretical Approach Eduard Cremades and Eliseo Ruiz pp 4016–4020 DOI: 10.1021/ic102514a Supporting Info

Heteroatomic Molecular Clusters Derived from Group 15 Zintl Ion Cages: Synthesis and Isolation of [M2(HP7)2]2− (M = Ag, Au), Two Novel Cluster Anions Exhibiting Metallophilic Interactions Caroline M. Knapp, Charlotte S. Jackson, Joseph S. Large, Amber L. Thompson, and Jose M. Goicoechea pp 4021–4028 DOI: 10.1021/ic102516g Supporting Info

Cyclam-methylbenzimidazole: a Selective OFF-ON Fluorescent Sensor for Zinc Abir El Majzoub, Cyril Cadiou, Isabelle Déchamps-Olivier, Bernard Tinant, and Françoise Chuburu pp 4029–4038 DOI: 10.1021/ic102521g Supporting Info

Chiral Semiconductor Phases: The Optically Pure D3[MIII(S,S-EDDS)]2 (D = TTF, TSF) Family Nikola Paul Chmel, Guy J. Clarkson, Alessandro Troisi, Scott S. Turner, and Peter Scott pp 4039–4046 DOI: 10.1021/ic102522k Supporting Info

Halide Coordination of Perhalocyclohexasilane Si6X12 (X = Cl or Br) Xuliang Dai, Seok-Bong Choi, Christopher W. Braun, Pooja Vaidya, Svetlana Kilina, Angel Ugrinov, Douglas L. Schulz, and Philip Boudjouk pp 4047–4053 DOI: 10.1021/ic102535n Supporting Info

Syntheses and Surprising Regioselectivity of 5- and 6-Substituted Decaboranyl Ethers via the Nucleophilic Attack of Alcohols on 6- and 5-Halodecaboranes William C. Ewing, Patrick J. Carroll, and Larry G. Sneddon pp 4054–4064 DOI: 10.1021/ic102544v Supporting Info

Facile Synthesis of ZnS−CuInS2-Alloyed Nanocrystals for a Color-Tunable Fluorchrome and Photocatalyst Wenjin Zhang and Xinhua Zhong pp 4065–4072 DOI: 10.1021/ic102559e Supporting Info

Incorporating Peptides in the Outer-Coordination Sphere of Bioinspired Electrocatalysts for Hydrogen Production Avijita Jain, Sheri Lense, John C. Linehan, Simone Raugei, Herman Cho, Daniel L. DuBois, and Wendy J. Shaw pp 4073–4085 DOI: 10.1021/ic1025872 Supporting Info

Structures and Redox Characteristics of Electron-Deficient Vanadyl Phthalocyanines Łukasz Łapok, Martin Lener, Olga Tsaryova, Stefanie Nagel, Christopher Keil, Robert Gerdes, Derck Schlettwein, and Sergiu M. Gorun pp 4086–4091 DOI: 10.1021/ic2000365 Supporting Info

Coordination and Reductive Chemistry of Tetraphenylborate Complexes of Trivalent Rare Earth Metallocene Cations, [(C5Me5)2Ln][(μ-Ph)2BPh2] Matthew R. MacDonald, Joseph W. Ziller, and William J. Evans pp 4092–4106 DOI: 10.1021/ic2000409 Supporting Info

Family of Cofacial Bimetallic Complexes of a Hexaanionic Carboxamide Cryptand Glen E. Alliger, Peter Müller, Loi H. Do, Christopher C. Cummins, and Daniel G. Nocera pp 4107–4115 DOI: 10.1021/ic200143b Supporting Info

Self-Assembled β-NaGdF4 Microcrystals: Hydrothermal Synthesis, Morphology Evolution, and Luminescence Properties Fei He, Piaoping Yang, Dong Wang, Na Niu, Shili Gai, and Xingbo Li pp 4116–4124 DOI: 10.1021/ic200155q

Lanthanide dota-like Complexes Containing a Picolinate Pendant: Structural Entry for the Design of LnIII-Based Luminescent Probes Martín Regueiro-Figueroa, Bachir Bensenane, Erika Ruscsák, David Esteban-Gómez, Loïc J. Charbonnière, Gyula Tircsó, Imre Tóth, Andrés de Blas, Teresa Rodríguez-Blas, and Carlos Platas-Iglesias pp 4125–4141 DOI: 10.1021/ic2001915 Supporting Info

On the Magnetic Insulating States, Spin Frustration, and Dominant Spin Exchange of the Ordered Double-Perovskites Sr2CuOsO6 and Sr2NiOsO6: Density Functional Analysis Chuan Tian, Arief C. Wibowo, Hans-Conrad zur Loye, and Myung-Hwan Whangbo pp 4142–4148 DOI: 10.1021/ic200167j

m-Carborane-Based Chiral NBN Pincer-Metal Complexes: Synthesis, Structure, and Application in Asymmetric Catalysis Mohamed E. El-Zaria, Hidekazu Arii, and Hiroyuki Nakamura pp 4149–4161 DOI: 10.1021/ic2002095 Supporting Info

Zn(II)−Cyclam Based Chromogenic Sensors for Recognition of ATP in Aqueous Solution Under Physiological Conditions and Their Application as Viable Staining Agents for Microorganism Prasenjit Mahato, Amrita Ghosh, Sanjiv K. Mishra, Anupama Shrivastav, Sandhya Mishra, and Amitava Das pp 4162–4170 DOI: 10.1021/ic200223g Supporting Info

Syntheses, Crystal Structures, Transport Properties and First-Principles Electronic Structure Study of the (tTTF)2X (X = Br, I) Low-Dimensional Antiferromagnets Marc Fourmigué, Eric W. Reinheimer, Ali Assaf, Olivier Jeannin, and Ali Saad , Pascale Auban-Senzier , Pere Alemany , Antonio Rodríguez-Fortea , Enric Canadell pp 4171–4181 DOI: 10.1021/ic2002964 Supporting Info

On the High Magnetic-Ordering Temperature of the 5d Magnetic Oxide Ca3LiOsO6 Crystallizing in a Trigonal Crystal Structure: Density Functional Analysis Erjun Kan, Fang Wu, Changhoon Lee, Jinhee Kang, and Myung-Hwan Whangbo pp 4182–4186 DOI: 10.1021/ic200305a

Cobalt-Mediated Selective B−H Activation and Formation of a Co−B Bond in the Reaction of the 16-Electron CpCo Half-Sandwich Complex Containing an o-Carborane-1,2-dithiolate Ligand with Ethyl Diazoacetate Guifeng Liu, Jiurong Hu, Jialin Wen, Huimin Dai, Yizhi Li, and Hong Yan pp 4187–4194 DOI: 10.1021/ic200333q Supporting Info

Pt(II) and Pt(IV) Amido, Aryloxide, and Hydrocarbyl Complexes: Synthesis, Characterization, and Reaction with Dihydrogen and Substrates that Possess C−H Bonds Joanna R. Webb, Colleen Munro-Leighton, Aaron W. Pierpont, Joshua T. Gurkin, T. Brent Gunnoe, Thomas R. Cundari, Michal Sabat, Jeffrey L. Petersen, and Paul D. Boyle pp 4195–4211 DOI: 10.1021/ic200153n Supporting Info

Unprecedented 1,3-Diaza[3]ferrocenophane Scaffold as Molecular Probe for Anions Antonia Sola, Raúl A. Orenes, María Ángeles García, Rosa M. Claramunt, Ibon Alkorta, José Elguero, Alberto Tárraga, and Pedro Molina pp 4212–4220 DOI: 10.1021/ic102314r Supporting Info

Correction to Density Functional Theory Calculations on Mössbauer Parameters of Nonheme Iron Nitrosyls Kathrin H. Hopmann, Abhik Ghosh, and Louis Noodleman pp 4221–4221 DOI: 10.1021/ic200575z Errata - link to original article

Issue 10

Correlation between the FeNO Angle and d−p Mixing in {FeNO}7 Complexes Jeanet Conradie and Abhik Ghosh pp 4223–4225 DOI: 10.1021/ic102388c Supporting Info

Cyclic Alumosiloxanes and Alumosilicates: Exemplifying the Loewenstein Rule at the Molecular Level Sandra González-Gallardo, Vojtech Jancik, Alma A. Delgado-Robles, and Mónica Moya-Cabrera pp 4226–4228 DOI: 10.1021/ic200313k Supporting Info

Zinc(II) and PPi Selective Fluorescence OFF–ON–OFF Functionality of a Chemosensor in Physiological Conditions I. Ravikumar and Pradyut Ghosh pp 4229–4231 DOI: 10.1021/ic200314t Supporting Info

A Tetranuclear, Macrocyclic 3d−4f Complex Showing Single-Molecule Magnet Behavior Humphrey L. C. Feltham, Rodolphe Clérac, Annie K. Powell, and Sally Brooker pp 4232–4234 DOI: 10.1021/ic2003639 Supporting Info

A General and Modular Synthesis of Monoimidouranium(IV) Dihalides Robert. E. Jilek, Liam P. Spencer, David L. Kuiper, Brian L. Scott, Ursula J. Williams, James M. Kikkawa, Eric J. Schelter, and James M. Boncella pp 4235–4237 DOI: 10.1021/ic200377b Supporting Info

Synthesis and Structure of a Dinuclear Gold(II) Complex with Terminal Fluoride Ligands Doris Y. Melgarejo, Gina M. Chiarella, John P. Fackler, Jr., Lisa M. Perez, Alexandre Rodrigue-Witchel, and Christian Reber pp 4238–4240 DOI: 10.1021/ic200394q Supporting Info

Cs8UIV(UVIO2)3(Ge3O9)3·3H2O: A Mixed-Valence Uranium Germanate with 9-Ring Channels Quang Bac Nguyen, Hsin-Kuan Liu, Wen-Jung Chang, and Kwang-Hwa Lii pp 4241–4243 DOI: 10.1021/ic200508v Supporting Info

Structural and Spectroscopic Characterization of Plutonyl(VI) Nitrate under Acidic Conditions Andrew J. Gaunt, Iain May, Mary P. Neu, Sean D. Reilly, and Brian L. Scott pp 4244–4246 DOI: 10.1021/ic200525u Supporting Info

NHC-Stabilized 1-Hydro-1H-borole and Its Nondegenerate Sigmatropic Isomers Holger Braunschweig, Ching-Wen Chiu, Thomas Kupfer, and Krzysztof Radacki pp 4247–4249 DOI: 10.1021/ic200533e Supporting Info

Synthesis and Coordination Chemistry of 1-Cymantrenyl-2,3,4,5-tetraphenylborole Holger Braunschweig, Alexander Damme, Daniela Gamon, Thomas Kupfer, and Krzysztof Radacki pp 4250–4252 DOI: 10.1021/ic200559d Supporting Info

Cationic Gold Carbonyl Complex on a Phosphine Support H. V. Rasika Dias, Chandrakanta Dash, Muhammed Yousufuddin, Mehmet Ali Celik, and Gernot Frenking pp 4253–4255 DOI: 10.1021/ic200757j Supporting Info

Electronic Properties and 13C NMR Structural Study of Y3N@C88 Wujun Fu, Jianyuan Zhang, Hunter Champion, Tim Fuhrer, Hugo Azuremendi, Tianming Zuo, Jianfei Zhang, Kim Harich, and Harry C. Dorn pp 4256–4259 DOI: 10.1021/ic101772d Supporting Info

Isomerism of [64Cu-NOTA-Bn]-Labeled Radiotracers: Separation of Two Complex Isomers and Determination of Their Interconversion Energy Barrier Using Ion Pair Chromatography Joern Schlesinger, Johan Rajander, Janne A. Ihalainen, Dinesh Ramesh, Patrik Eklund, Veronica Fagerholm, Pirjo Nuutila, and Olof Solin pp 4260–4271 DOI: 10.1021/ic101775q Supporting Info

Boron-Containing Two-Photon-Absorbing Chromophores. 3. One- and Two-Photon Photophysical Properties of p-Carborane-Containing Fluorescent Bioprobes Jean-François Nicoud, Frédéric Bolze, Xiao-Hua Sun, Ali Hayek, and Patrice Baldeck pp 4272–4278 DOI: 10.1021/ic102043v

Chromic Behaviors of Hexagonal Columnar Liquid Crystalline Platinum Complexes with Catecholato, 2-Thiophenolato, and Benzenedithiolato Ho-Chol Chang, Kazuki Komasaka, Keisuke Kishida, Tomoki Shiozaki, Takeshi Ohmori, Takeshi Matsumoto, Atsushi Kobayashi, Masako Kato, and Susumu Kitagawa pp 4279–4288 DOI: 10.1021/ic102123n Supporting Info

Novel Fluorous Amphiphilic Heteroleptic Ru-Based Complexes for a Dye-Sensitized Solar Cell: The First Fluorous Bis-ponytailed Amphiphilic Ru Complexes Norman Lu, Jia-Sheng Shing, Wen-Han Tu, Ying-Chan Hsu, and Jiann T. Lin pp 4289–4294 DOI: 10.1021/ic102192m Supporting Info

Photoinduced Magnetism in Core/Shell Prussian Blue Analogue Heterostructures of KjNik[Cr(CN)6]l·nH2O with RbaCob[Fe(CN)6]c·mH2O Matthieu F. Dumont, Elisabeth S. Knowles, Amandine Guiet, Daniel M. Pajerowski, Ariel Gomez, Stefan W. Kycia, Mark W. Meisel, and Daniel R. Talham pp 4295–4300 DOI: 10.1021/ic1022054 Supporting Info

Liquefaction of Solid-State BH3NH3 by Gaseous NH3 Liang Gao, Haocheng Fang, Zhenhua Li, Xuebin Yu, and Kangnian Fan pp 4301–4306 DOI: 10.1021/ic200373g Supporting Info

“Jumping Crystals”: Oxygen-Evolving Metal-Nitroxide Complexes Victor I. Ovcharenko, Sergei V. Fokin, Elena Yu. Fursova, Olga V. Kuznetsova, Eugene V. Tretyakov, Galina V. Romanenko, and Artem S. Bogomyakov pp 4307–4312 DOI: 10.1021/ic1022483 Supporting Info

Iron Salts with the Tetracyanidoborate Anion: [FeIII(H2O)6][B(CN)4]3, Coordination Polymer [FeII(H2O)2{κ2N[B(CN)4]}2], and [FeII(DMF)6][B(CN)4]2 Christian Nitschke and Martin Köckerling pp 4313–4321 DOI: 10.1021/ic102278z

Density Functional Theory Study of an All Ferrous 4Fe-4S Cluster Mrinmoy Chakrabarti, Eckard Münck, and Emile L. Bominaar pp 4322–4326 DOI: 10.1021/ic102287j Supporting Info

Efficient Plasmid DNA Cleavage by Copper(II) Complexes of 1,4,7-Triazacyclononane Ligands Featuring Xylyl-Linked Guanidinium Groups Linda Tjioe, Anja Meininger, Tanmaya Joshi, Leone Spiccia, and Bim Graham pp 4327–4339 DOI: 10.1021/ic102301n Supporting Info

Palladium Complexes Affect the Aggregation of Human Prion Protein PrP106-126 Yanli Wang, Li Feng, Bingbing Zhang, Xuesong Wang, Cheng Huang, Yiming Li, and Weihong Du pp 4340–4348 DOI: 10.1021/ic102331x Supporting Info

Oxidovanadium(IV) Schiff Base Complex Derived from Vitamin B6: Synthesis, Characterization, and Insulin Enhancing Properties Tirtha Mukherjee, Joa̅o Costa Pessoa, Amit Kumar, and Asit R. Sarkar pp 4349–4361 DOI: 10.1021/ic102412s Supporting Info

Silicium Dioxide Nanoparticles As Carriers for Photoactivatable CO-Releasing Molecules (PhotoCORMs) Gregor Dördelmann, Hendrik Pfeiffer, Alexander Birkner, and Ulrich Schatzschneider pp 4362–4367 DOI: 10.1021/ic1024197 Supporting Info

On the Nature of the Multiple Ground States of the MMX Mixed-Valence Chain Compound, [PtII/III2(n-PenCS2)4I]∞ Minoru Mitsumi, Takami Yamashita, Yuko Aiga, Koshiro Toriumi, Hiroshi Kitagawa, Tadaoki Mitani, and Mohamedally Kurmoo pp 4368–4377 DOI: 10.1021/ic102461z Supporting Info

VOPO4·H2O: A Stacking Faults Structure Studied by X-ray Powder Diffraction and DFT-D Calculations Romain Gautier, Nathalie Audebrand, Eric Furet, Régis Gautier, and Eric Le Fur pp 4378–4383 DOI: 10.1021/ic102473s

Effect of Electronic Structure on the Photoinduced Ligand Exchange of Ru(II) Polypyridine Complexes Robert N. Garner, Lauren E. Joyce, and Claudia Turro pp 4384–4391 DOI: 10.1021/ic102482c Supporting Info

3,5-Diformylboron Dipyrromethenes as Fluorescent pH Sensors Sheri Madhu, Malakalapalli Rajeswara Rao, Mushtaque S. Shaikh, and Mangalampalli Ravikanth pp 4392–4400 DOI: 10.1021/ic102499h Supporting Info

Heterometallic Cu/Co and Cu/Co/Zn Complexes Bearing Rare Asymmetric Tetranuclear Cores: Synthesis, Structures, and Magnetic and Catalytic Properties Toward the Peroxidative Oxidation of Cycloalkanes Dmytro S. Nesterov, Volodymyr N. Kokozay, Julia Jezierska, Oleksiy V. Pavlyuk, Roman Boča, and Armando J. L. Pombeiro pp 4401–4411 DOI: 10.1021/ic102543m Supporting Info

Large Thermal Conductivity Reduction Induced by La/O Vacancies in the Thermoelectric LaCoO3 System Yang Wang, Fang Li, Luxiang Xu, Yu Sui, Xianjie Wang, Wenhui Su, and Xiaoyang Liu pp 4412–4416 DOI: 10.1021/ic200178x Supporting Info

Cobalt Cystathionine β-Synthase: A Cobalt-Substituted Heme Protein with a Unique Thiolate Ligation Motif Aaron T. Smith, Tomas Majtan, Katherine M. Freeman, Yang Su, Jan P. Kraus, and Judith N. Burstyn pp 4417–4427 DOI: 10.1021/ic102586b Supporting Info

Fe(CO)4 and Related Compounds as Isolobal Fragments Lisa S. Cunden and R. G. Linck pp 4428–4436 DOI: 10.1021/ic200009w Supporting Info

Regiospecific Quenching of a Photoexcited Platinum(II) Complex at Acidic and Basic Sites Daniel P. Lazzaro, Robert McGuire, Jr., and David R. McMillin pp 4437–4444 DOI: 10.1021/ic2000359 Supporting Info

Naked Five-Coordinate FeIII(NO) Porphyrin Complexes: Vibrational and Reactivity Features Francesco Lanucara, Barbara Chiavarino, Maria Elisa Crestoni, Debora Scuderi, Rajeev K. Sinha, Philippe Maı̂tre, and Simonetta Fornarini pp 4445–4452 DOI: 10.1021/ic200073v Supporting Info

Photochemistry of trans-Cr(cyclam)(ONO)2+, a Nitric Oxide Precursor Alexis D. Ostrowski, Ryan O. Absalonson, Malcolm A. De Leo, Guang Wu, James G. Pavlovich, Janet Adamson, Bilal Azhar, Alexei V. Iretskii, Ian L. Megson, and Peter C. Ford pp 4453–4462 DOI: 10.1021/ic200094x Supporting Info

Lanthanide-Ion-Assisted Structural Collapse of Layered GaOOH Lattice Boddu Sanyasi Naidu, Mukesh Pandey, Jitendra Nuwad, Vasanthakumaran Sudarsan, Rajesh Kumar Vatsa, Rohidas J. Kshirsagar, and C. G. Sivan Pillai pp 4463–4472 DOI: 10.1021/ic200106j Supporting Info

New Quaternary Tellurite and Selenite: Synthesis, Structure, and Characterization of Centrosymmetric InVTe2O8 and Noncentrosymmetric InVSe2O8 Dong Woo Lee, Seung-Jin Oh, P. Shiv Halasyamani, and Kang Min Ok pp 4473–4480 DOI: 10.1021/ic200135k Supporting Info

The Influence of the Metal (Al, Cr, and Co) and the Substituents of the Porphyrin in Controlling the Reactions Involved in the Copolymerization of Propylene Oxide and Carbon Dioxide by Porphyrin Metal(III) Complexes. 1. Aluminum Chemistry Chandrani Chatterjee and Malcolm H. Chisholm pp 4481–4492 DOI: 10.1021/ic200142f Supporting Info

Construction of Halide-Bridged Tungsten-Copper-Sulfide Double Cubanelike Clusters from a New Precursor [(Tp*WS2)2(μ-S2)] Li-Pei Wei, Zhi-Gang Ren, Lian-Wen Zhu, Wen-Yan Yan, Sha Sun, Hui-Fang Wang, Jian-Ping Lang, and Zhen-Rong Sun pp 4493–4502 DOI: 10.1021/ic200147d Supporting Info

Paramagnetic Oxotungsten(V) Complexes Containing the Hydrotris(3,5-dimethylpyrazol-1-yl)borate Ligand Stephen Sproules, Aston A. Eagle, Michelle K. Taylor, Robert W. Gable, Jonathan M. White, and Charles G. Young pp 4503–4514 DOI: 10.1021/ic200161m Supporting Info

Using the Outer Coordination Sphere to Tune the Strength of Metal Extractants Ross S. Forgan, Benjamin D. Roach, Peter A. Wood, Fraser J. White, John Campbell, David K. Henderson, Eduardo Kamenetzky, Fiona E. McAllister, Simon Parsons, Elna Pidcock, Patricia Richardson, Ronald M. Swart, and Peter A. Tasker pp 4515–4522 DOI: 10.1021/ic200154y Supporting Info

Synthesis of the Clathrate-I Phase Ba8−xSi46 via Redox Reactions Ying Liang, Bodo Böhme, Marianne Reibold, Walter Schnelle, Ulrich Schwarz, Michael Baitinger, Hannes Lichte, and Yuri Grin pp 4523–4528 DOI: 10.1021/ic2001859 Supporting Info

First Experimental Evidence of a New D4-AgCoO2 Delafossite Stacking R. Berthelot, M. Pollet, J.-P. Doumerc, and C. Delmas pp 4529–4536 DOI: 10.1021/ic2002354

Phase Relations and Crystal Structure of τ6-Ti2(Ti0.16Ni0.43Al0.41)3 Atta U. Khan, A. Grytsiv, X. Yan, P. Rogl, A. Saccone, V. Pomjakushin, and G. Giester pp 4537–4547 DOI: 10.1021/ic200245m

Synthesis and Crystal Structure of a Pr5Ni19 Superlattice Alloy and Its Hydrogen Absorption–Desorption Property Kenji Iwase, Kouji Sakaki, Junko Matsuda, Yumiko Nakamura, Toru Ishigaki, and Etsuo Akiba pp 4548–4552 DOI: 10.1021/ic200253w

New Dinuclear Nickel(II) Complexes: Synthesis, Structure, Electrochemical, and Magnetic Properties Dmitry Yakhvarov, Ekaterina Trofimova, Oleg Sinyashin, Olga Kataeva, Yulia Budnikova, Peter Lönnecke, Evamarie Hey-Hawkins, Andreas Petr, Yulia Krupskaya, Vladislav Kataev, Rüdiger Klingeler, and Bernd Büchner pp 4553–4558 DOI: 10.1021/ic2002546 Supporting Info

NMR Studies of Models Having the Pt(d(GpG)) 17-Membered Macrocyclic Ring Formed in DNA by Platinum Anticancer Drugs: Pt Complexes with Bulky Chiral Diamine Ligands Jamil S. Saad, Michele Benedetti, Giovanni Natile, and Luigi G. Marzilli pp 4559–4571 DOI: 10.1021/ic200259s Supporting Info

Revised Ionic Radii of Lanthanoid(III) Ions in Aqueous Solution Paola D’Angelo, Andrea Zitolo, Valentina Migliorati, Giovanni Chillemi, Magali Duvail, Pierre Vitorge, Sacha Abadie, and Riccardo Spezia pp 4572–4579 DOI: 10.1021/ic200260r Supporting Info

New Barium Copper Chalcogenides Synthesized Using Two Different Chalcogen Atoms: Ba2Cu6–xSTe4 and Ba2Cu6–xSeyTe5–y Oottil Mayasree, Cheriyedath Raj Sankar, Abdeljalil Assoud, and Holger Kleinke pp 4580–4585 DOI: 10.1021/ic2002628 Supporting Info

Effect of Counteranion X on the Spin Crossover Properties of a Family of Diiron(II) Triazole Complexes [FeII2(PMAT)2](X)4 Jonathan A. Kitchen, Nicholas G. White, Guy N. L. Jameson, Jeffery L. Tallon, and Sally Brooker pp 4586–4597 DOI: 10.1021/ic200308k Supporting Info

Highly Active Titanium-Based Olefin Polymerization Catalysts Bearing Bulky Aminopyridinato Ligands Awal Noor, Winfried P. Kretschmer, Germund Glatz, and Rhett Kempe pp 4598–4606 DOI: 10.1021/ic200318h Supporting Info

Synthesis and Photophysical Characterization of Stable Indium Bacteriochlorins Michael Krayer, Eunkyung Yang, Han-Je Kim, Hooi Ling Kee, Richard M. Deans, Camille E. Sluder, James R. Diers, Christine Kirmaier, David F. Bocian, Dewey Holten, and Jonathan S. Lindsey pp 4607–4618 DOI: 10.1021/ic200325d Supporting Info

Linear Alkyl Diamine-Uranium-Phosphate Systems: U(VI) to U(IV) Reduction with Ethylenediamine Laurent Jouffret, Murielle Rivenet, and Francis Abraham pp 4619–4626 DOI: 10.1021/ic200345j Supporting Info

An Ionic Liquid-Mediated Route to Cerium(III) Bromide Solvates Kalyan V. Vasudevan, Nickolaus A. Smith, Brian L. Scott, Edward A. McKigney, Michael W. Blair, John C. Gordon, and Ross E. Muenchausen pp 4627–4631 DOI: 10.1021/ic200353s Supporting Info

Hydrothermal Growth and Structural Studies of Si1–xGexO2 Single Crystals V. Ranieri, S. Darracq, M. Cambon, J. Haines, O. Cambon, A. Largeteau, and G. Demazeau pp 4632–4639 DOI: 10.1021/ic200354p

Chlorination and Solvothermal Treatment of Zr(C5H5)2Cl2: a Synthetic Combination to Produce Nanometric Tetragonal ZrO2 D. Ávila-Brande, R. Perezzan, E. Urones-Garrote, and L. C. Otero-Díaz pp 4640–4646 DOI: 10.1021/ic2004112

Subtle Differences Between Zr and Hf in Early/Late Heterobimetallic Complexes with Cobalt Vinay N. Setty, Wen Zhou, Bruce M. Foxman, and Christine M. Thomas pp 4647–4655 DOI: 10.1021/ic200445x Supporting Info

Sodium Congener of the Classical Lithium Methylchromate Dimer: Synthetic, X-ray Crystallographic, and Magnetic Studies of Me8Cr2[Na(OEt2)]4 Ross Campbell, Luca M. Carrella, William Clegg, Robert E. Mulvey, Eva Rentschler, Stuart D. Robertson, and Luca Russo pp 4656–4659 DOI: 10.1021/ic200471b Supporting Info

Stabilizing High-Valent Metal Ions with a Ketimide Ligand Set: Synthesis of Mn(N═CtBu2)4 Richard A. Lewis, Guang Wu, and Trevor W. Hayton pp 4660–4668 DOI: 10.1021/ic200490v Supporting Info

Correction to Highly Organized Structures and Unusual Magnetic Properties of Paddlewheel Copper(II) Carboxylate Dimers Containing the π–π Stacking, 1,8-Naphthalimide Synthon Daniel L. Reger, Agota Debreczeni, Bryn Reinecke, Vitaly Rassolov, Mark D. Smith, and Radu F. Semeniuc pp 4669–4670 DOI: 10.1021/ic200654n Errata - link to original article

Issue 11

Steric Effects Control Self-Sorting in Self-Assembled Clusters Amber M. Johnson and Richard J. Hooley pp 4671–4673 DOI: 10.1021/ic2001688 Supporting Info

New Semiconducting Coordination Polymers from Zinc Sulfide Clusters and Chains Ziyi Chen, Daibing Luo, Maoping Kang, and Zhien Lin pp 4674–4676 DOI: 10.1021/ic2004003 Supporting Info

Topological Variations of the PDP Ligand and Its Prospects in Molybdenum(0) Dearomatization Agents Benjamin K. Liebov, Caitlin E. Weigle, Kyle V. Keinath, Jennifer E. Leap, Robert D. Pike, and Joseph M. Keane pp 4677–4679 DOI: 10.1021/ic200403t Supporting Info

Symmetrically Substituted nido-Carboranylphthalocyanines: Facile Synthesis, Characterization, and Solution Properties. Evidence for Intra- and Intermolecular H+/K+ Exchange Daniela Pietrangeli, Angela Rosa, Antonietta Pepe, and Giampaolo Ricciardi pp 4680–4682 DOI: 10.1021/ic200458k Supporting Info

Synthesis of the Hydroxide Cluster [Al13(μ3-OH)6(μ-OH)18(H2O)24]15+ from an Aqueous Solution Wei Wang, Katherine M. Wentz, Sophia E. Hayes, Darren W. Johnson, and Douglas A. Keszler pp 4683–4685 DOI: 10.1021/ic200483q

Investigation of Mixed Oxidation State Cyanide-Bridged ReVOxo (acac2en/pn) and ReI(bipy)(CO)3 Complexes Adam L. Moore, Brendan Twamley, Charles L. Barnes, and Paul D. Benny pp 4686–4688 DOI: 10.1021/ic2005002 Supporting Info

Encapsulation versus Aggregation of Metal–Organic Cages Controlled by Guest Size Variation Guido H. Clever, Wataru Kawamura, and Mitsuhiko Shionoya pp 4689–4691 DOI: 10.1021/ic200517r Supporting Info

K(NpO2)3(H2O)Cl4: A Channel Structure Assembled by Two- and Three-Center Cation–Cation Interactions of Neptunyl Cations Shuao Wang, Evgeny V. Alekseev, Wulf Depmeier, and Thomas E. Albrecht-Schmitt pp 4692–4694 DOI: 10.1021/ic200549f Supporting Info

Borane-Mediated Silylation of a Metal–Oxo Ligand David D. Schnaars, Guang Wu, and Trevor W. Hayton pp 4695–4697 DOI: 10.1021/ic2008649 Supporting Info

Eu3+:Y2O3 Microspheres and Microcubes: A Supercritical Synthesis and Characterization M Kempaiah Devaraju, Shu Yin, and Tsugio Sato pp 4698–4704 DOI: 10.1021/ic101496b Supporting Info

Gold Nanoparticles Enhancing Dismutation of Superoxide Radical by Its Bis(dithiocarbamato)copper(II) Shell Roberto Cao, Jr., Reynaldo Villalonga, Alicia M. Díaz-García, Roberto Cao, Teofilo Rojo, and M. Carmen Rodríguez-Argüelles pp 4705–4712 DOI: 10.1021/ic101770h Supporting Info

Synthesis and Characterization of Ethylbis(2-pyridylethyl)amineruthenium Complexes and Two Different Types of C–H Bond Cleavage at an Ethylene Arm Sohei Fukui, Akari Kajihara, Toshiyuki Hirano, Fumitoshi Sato, Noriyuki Suzuki, and Hirotaka Nagao pp 4713–4724 DOI: 10.1021/ic101940f Supporting Info

Borotungstate Polyoxometalates: Multinuclear NMR Structural Characterization and Conversions in Solutions Raisa I. Maksimovskaya and Gennadii M. Maksimov pp 4725–4731 DOI: 10.1021/ic101996f Supporting Info

Synthesis, Characterization, Interaction with DNA, and Cytotoxic Effect in Vitro of New Mono- and Dinuclear Pd(II) and Pt(II) Complexes with Benzo[d]thiazol-2-amine As the Primary Ligand EnJun Gao, Lei Liu, MingChang Zhu, Yun Huang, Feng Guan, XiaNan Gao, Min Zhang, Lei Wang, WanZhong Zhang, and YaGuang Sun pp 4732–4741 DOI: 10.1021/ic102142j

Trialkylphosphine-Stabilized Copper(I) Phenylchalcogenolate Complexes - Crystal Structures and Copper–Chalcogenolate Bonding Oliver Kluge, Katharina Grummt, Ralf Biedermann, and Harald Krautscheid pp 4742–4752 DOI: 10.1021/ic102249g Supporting Info

Redox-Rich Spin–Spin-Coupled Semiquinoneruthenium Dimers with Intense Near-IR Absorption Tanaya Kundu, Biprajit Sarkar, Tapan Kumar Mondal, Shaikh M. Mobin, Francisco A. Urbanos, Jan Fiedler, Reyes Jiménez-Aparicio, Wolfgang Kaim, and Goutam Kumar Lahiri pp 4753–4763 DOI: 10.1021/ic102280q Supporting Info

Bis(bipyridine)ruthenium(II) Complexes with an Aliphatic Sulfinato Donor: Synthesis, Characterization, and Properties Motoshi Tamura, Kiyoshi Tsuge, Asako Igashira-Kamiyama, and Takumi Konno pp 4764–4771 DOI: 10.1021/ic102319p Supporting Info

Mercaptothiazolinyl Functionalized Hexapodal and Tripodal Receptors on Benzene Platform: Formation of Silver Ion Assisted Hexanuclear Metallocage vs Metal–Organic Polymer B. Nisar Ahamed, M. Arunachalam, and Pradyut Ghosh pp 4772–4780 DOI: 10.1021/ic102363y Supporting Info

Gas-Phase Coordination Complexes of Dipositive Plutonyl, PuO22+: Chemical Diversity Across the Actinyl Series Daniel Rios, Philip X Rutkowski, Michael J. Van Stipdonk, and John K. Gibson pp 4781–4790 DOI: 10.1021/ic2005375 Supporting Info

Water Exchange of a ProHance MRI Contrast Agent: Isomer-Dependent Free-Energy Landscapes and Mechanisms Rodolphe Pollet, Nisanth N. Nair, and Dominik Marx pp 4791–4797 DOI: 10.1021/ic102403r Supporting Info

Synthesis, Functionalization, Characterization, and Photophysical Study of Carbonyl-Containing Isocyano Rhenium(I) Diimine Complexes Apple Wai-Yi Cheung, Larry Tso-Lun Lo, Chi-Chiu Ko, and Shek-Man Yiu pp 4798–4810 DOI: 10.1021/ic102429t Supporting Info

Comparative Assessment of the Composition and Charge State of Nitrogenase FeMo-Cofactor Travis V. Harris and Robert K. Szilagyi pp 4811–4824 DOI: 10.1021/ic102446n Supporting Info

Boron-Bridged π-Conjugated Ladders as Efficient Electron-Transporting Emitters Di Li, Yang Yuan, Hai Bi, Dandan Yao, Xingjia Zhao, Wenjing Tian, Yue Wang, and Hongyu Zhang pp 4825–4831 DOI: 10.1021/ic102554j Supporting Info

Gd(III)[15-Metallacrown-5] Recognition of Chiral α-Amino Acid Analogues Choong-Sun Lim, Joseph Jankolovits, Peng Zhao, Jeff W. Kampf, and Vincent L. Pecoraro pp 4832–4841 DOI: 10.1021/ic102579t Supporting Info

Deviation Between the Chemistry of Ce(IV) and Pu(IV) and Routes to Ordered and Disordered Heterobimetallic 4f/5f and 5f/5f Phosphonates Juan Diwu, Shuao Wang, Justin J. Good, Victoria H. DiStefano, and Thomas E. Albrecht-Schmitt pp 4842–4850 DOI: 10.1021/ic200006m Supporting Info

Solution, Solid State, and Film Properties of a Structurally Characterized Highly Luminescent Molecular Europium Plastic Material Excitable with Visible Light Gaël Zucchi, Vajjiravel Murugesan, Denis Tondelier, Dmitry Aldakov, Taewoo Jeon, Feng Yang, Pierre Thuéry, Michel Ephritikhine, and Bernard Geffroy pp 4851–4856 DOI: 10.1021/ic2000415 Supporting Info

Eu(III) Complexes as Anion-Responsive Luminescent Sensors and Paramagnetic Chemical Exchange Saturation Transfer Agents Jacob Hammell, Leandro Buttarazzi, Ching-Hui Huang, and Janet R. Morrow pp 4857–4867 DOI: 10.1021/ic200075w Supporting Info

Synthesis and Structure of Ruthenium(IV) Complexes Featuring N-Heterocyclic Ligands with an N–H Group as the Hydrogen-Bond Donor: Hydrogen Interactions in Solution and in the Solid State Josefina Díez, José Gimeno, Isabel Merino, Eduardo Rubio, and Francisco J. Suárez pp 4868–4881 DOI: 10.1021/ic200547k Supporting Info

Lanthanide-Based Coordination Polymers Assembled from Derivatives of 3,5-Dihydroxy Benzoates: Syntheses, Crystal Structures, and Photophysical Properties Sarika Sivakumar, M. L. P. Reddy, Alan H. Cowley, and Rachel R. Butorac pp 4882–4891 DOI: 10.1021/ic2001249 Supporting Info

Crystal Structure and Spectroscopic Studies of a Stable Mixed-Valent State of the Hemerythrin-like Domain of a Bacterial Chemotaxis Protein Akira Onoda, Yasunori Okamoto, Hiroshi Sugimoto, Yoshitsugu Shiro, and Takashi Hayashi pp 4892–4899 DOI: 10.1021/ic2001267 Supporting Info

Temperature Dependence of the Crystal Structure and g-Values of trans-Diaquabis(methoxyacetato)Copper(II): Evidence for a Thermal Equilibrium Between Complexes with Tetragonally Elongated and Compressed Geometries Charles J. Simmons, Horst Stratemeier, Michael A. Hitchman, Dirk Reinen, Vanessa M. Masters, and Mark J. Riley pp 4900–4916 DOI: 10.1021/ic200554f Supporting Info

Noncovalent Interaction-Driven Stereoselectivity of Copper(II) Complexes with Cyclodextrin Derivatives of l- and d-Carnosine Giuseppa Ida Grasso, Francesco Bellia, Giuseppe Arena, Graziella Vecchio, and Enrico Rizzarelli pp 4917–4924 DOI: 10.1021/ic200132a Supporting Info

Switching of Molecular Insertion in a Cyclic Molecule via Photo- and Thermal Isomerization Satoshi Umeki, Shoko Kume, and Hiroshi Nishihara pp 4925–4933 DOI: 10.1021/ic200145h Supporting Info

Syntheses, Crystal Structures, Magnetic and Luminescent Properties of two Classes of Molybdenum(VI) Rich Quaternary Lanthanide Selenites Su-Yun Zhang and Jiang-Gao Mao pp 4934–4943 DOI: 10.1021/ic200149y Supporting Info

Lanthanoid-Containing Open Wells–Dawson Silicotungstates: Synthesis, Crystal Structures, and Properties Lubin Ni, Firasat Hussain, Bernhard Spingler, Stephen Weyeneth, and Greta R. Patzke pp 4944–4955 DOI: 10.1021/ic2001943 Supporting Info

Charge Transfer and Intraligand Excited State Interactions in Platinum-Sensitized Dithienylethenes Matthew N. Roberts, Jeffrey K. Nagle, Marek B. Majewski, Jeremy G. Finden, Neil R. Branda, and Michael O. Wolf pp 4956–4966 DOI: 10.1021/ic200200j Supporting Info

On the Origin of the Relative Stability of Wells–Dawson Isomers: A DFT Study of α-, β-, γ-, α*-, β*-, and γ*-[(PO4)2W18O54]6– Anions Fu-Qiang Zhang, Wei Guan, Li-Kan Yan, Yin-Tang Zhang, Mao-Tian Xu, Ebenezer Hayfron-Benjamin, and Zhong-Min Su pp 4967–4977 DOI: 10.1021/ic200203s Supporting Info

Layered Perovskite-Like Pb2Fe2O5 Structure as a Parent Matrix for the Nucleation and Growth of Crystallographic Shear Planes Dmitry Batuk, Joke Hadermann, Artem Abakumov, Thomas Vranken, An Hardy, Marlies Van Bael, and Gustaaf Van Tendeloo pp 4978–4986 DOI: 10.1021/ic200211x Supporting Info

Modulating the Photophysical Properties of Azamacrocyclic Europium Complexes with Charge-Transfer Antenna Chromophores Adrien Bourdolle, Mustapha Allali, Jean-Christophe Mulatier, Boris Le Guennic, Jurriaan M. Zwier, Patrice L. Baldeck, Jean-Claude G. Bünzli, Chantal Andraud, Laurent Lamarque, and Olivier Maury pp 4987–4999 DOI: 10.1021/ic200227b Supporting Info

Synthesis of Indium Nanoparticles: Digestive Ripening under Mild Conditions Sreeram Cingarapu, Zhiqiang Yang, Christopher M. Sorensen, and Kenneth J. Klabunde pp 5000–5005 DOI: 10.1021/ic200232b Supporting Info

On the Structural and Electronic Properties of [Zn2(4,4′-bipyridine)(mes)4]n− (n = 0–2), a Homologous Series of Bimetallic Complexes Bridged by Neutral, Anionic, and Dianionic 4,4′-Bipyridine Mark Irwin, Tobias Krämer, John E. McGrady, and Jose M. Goicoechea pp 5006–5014 DOI: 10.1021/ic200241d Supporting Info

Sulfonated Diiron Complexes as Water-Soluble Models of the [Fe–Fe]-Hydrogenase Enzyme Active Site Michael L. Singleton, Danielle J. Crouthers, Robert P. Duttweiler, III, Joseph H. Reibenspies, and Marcetta Y. Darensbourg pp 5015–5026 DOI: 10.1021/ic200272x Supporting Info

Linear and Nonlinear Optical Properties of Cationic Bipyridyl Iridium(III) Complexes: Tunable and Photoswitchable? Vincent Aubert, Lucie Ordronneau, Muriel Escadeillas, J. A. Gareth Williams, Abdou Boucekkine, Esther Coulaud, Claudia Dragonetti, Stefania Righetto, Dominique Roberto, Renato Ugo, Adriana Valore, Anu Singh, Joseph Zyss, Isabelle Ledoux-Rak, Hubert Le Bozec, and Véronique Guerchais pp 5027–5038 DOI: 10.1021/ic2002892 Supporting Info

Syntheses of Group 7 Metal Carbonyl Complexes with a Stable N-Heterocyclic Chlorosilylene Ramachandran Azhakar, Sankaranarayana Pillai Sarish, Herbert W. Roesky, Jakob Hey, and Dietmar Stalke pp 5039–5043 DOI: 10.1021/ic2003035 Supporting Info

Size- and Shape-Selective Isostructural Microporous Metal–Organic Frameworks with Different Effective Aperture Sizes Xinfang Liu, Minhak Oh, and Myoung Soo Lah pp 5044–5053 DOI: 10.1021/ic200328q Supporting Info

Aluminum Nanoparticles Capped by Polymerization of Alkyl-Substituted Epoxides: Ratio-Dependent Stability and Particle Size Douglas W. Hammerstroem, Mark A. Burgers, Stephen W. Chung, Elena A. Guliants, Christopher E. Bunker, Katherine M. Wentz, Sophia E. Hayes, Steven W. Buckner, and Paul A. Jelliss pp 5054–5059 DOI: 10.1021/ic2003386

Loops, Chains, Sheets, and Networks from Variable Coordination of Cu(hfac)2 with a Flexibly Hinged Aminoxyl Radical Ligand Martha Baskett, Armando Paduan-Filho, Nei Fernandes Oliveira, Jr., A. Chandrasekaran, Joel T. Mague, and Paul M. Lahti pp 5060–5074 DOI: 10.1021/ic200362c Supporting Info

Emissive Iridium(III) Diimine Complexes Formed by Double Cyclometalation of Coordinated Triphenylphosphite Yao-Yuan Chang, Jui-Yi Hung, Yun Chi, Jong-Pyng Chyn, Min-Wen Chung, Chia-Li Lin, Pi-Tai Chou, Gene-Hsiang Lee, Chih-Hao Chang, and Wei-Chieh Lin pp 5075–5084 DOI: 10.1021/ic2003723 Supporting Info

Investigation of Porous Ni-Based Metal–Organic Frameworks Containing Paddle-Wheel Type Inorganic Building Units via High-Throughput Methods Palanikumar Maniam and Norbert Stock pp 5085–5097 DOI: 10.1021/ic200381f Supporting Info

Syntheses and Crystal Structures of Two New Bismuth Hydroxyl Borates Containing [Bi2O2]2+ Layers: Bi2O2[B3O5(OH)] and Bi2O2[BO2(OH)] Rihong Cong, Junliang Sun, Tao Yang, Mingrun Li, Fuhui Liao, Yingxia Wang, and Jianhua Lin pp 5098–5104 DOI: 10.1021/ic200382b Supporting Info

Facile Reduction of a Uranyl(VI) β-Ketoiminate Complex to U(IV) Upon Oxo Silylation Jessie L. Brown, Charles C. Mokhtarzadeh, Jeremie M. Lever, Guang Wu, and Trevor W. Hayton pp 5105–5112 DOI: 10.1021/ic200387n Supporting Info

Coordination Mode Dependent Excited State Behavior in Group 8 Phosphino(terthiophene) Complexes Stephanie A. Moore, Jeffrey K. Nagle, Michael O. Wolf, and Brian O. Patrick pp 5113–5122 DOI: 10.1021/ic200392n Supporting Info

Unsymmetrical 1λ3-1,2,4,6-Thiatriazinyls with Aryl and Trifluoromethyl Substituents: Synthesis, Crystal Structures, EPR Spectroscopy, and Voltammetry René T. Boeré, Tracey L. Roemmele, and Xin Yu pp 5123–5136 DOI: 10.1021/ic2003996 Supporting Info

Deciphering Three Beneficial Effects of 2,2′-Bipyridine-N,N′-Dioxide on the Luminescence Sensitization of Lanthanide(III) Hexafluoroacetylacetonate Ternary Complexes Svetlana V. Eliseeva, Dmitry N. Pleshkov, Konstantin A. Lyssenko, Leonid S. Lepnev, Jean-Claude G. Bünzli, and Natalia P. Kuzmina pp 5137–5144 DOI: 10.1021/ic200450x Supporting Info

A Vanadium (VO2+) Metal–Organic Framework: Selective Vapor Adsorption, Magnetic Properties, and Use as a Precursor for a Polyoxovanadate Prakash Kanoo, Ashta Chandra Ghosh, and Tapas Kumar Maji pp 5145–5152 DOI: 10.1021/ic200463k Supporting Info

Synthesis and Characterization of Di- and Trivalent Pyrazolylborate β-Diketonates and Cyanometalates Minao Tang, Dongfeng Li, Uma Prasad Mallik, Yuan-Zhu Zhang, Rodolphe Clérac, Gordon T. Yee, Myung-Hwan Whangbo, Amshumali Mungalimane, and Stephen M. Holmes pp 5153–5164 DOI: 10.1021/ic200464t Supporting Info

Synthesis and CuII Coordination Chemistry of a Patellamide Derivative: Consequences of the Change from the Natural Thiazole/Oxazoline to the Artificial Imidazole Heterocycles Peter Comba, Nina Dovalil, Graeme R. Hanson, and Gerald Linti pp 5165–5174 DOI: 10.1021/ic2004694 Supporting Info

Artificial Amino Acids in Nickel(II) and Nickel(II)/Lanthanide(III) Chemistry Tereza Peristeraki, Marianna Samios, Milosz Siczek, Tadeusz Lis, and Constantinos J. Milios pp 5175–5185 DOI: 10.1021/ic2004744 Supporting Info

Magnetic Properties after Irradiation of 1:4 Complexes Consisting of CoX2, X = NCS–, Cl–, and NCO–, and Phenylpyridyldiazomethane in Dilute Frozen Solutions: Axial Ligand Effect in Heterospin Single-Molecule Magnets Satoru Karasawa and Noboru Koga pp 5186–5195 DOI: 10.1021/ic200482y Supporting Info

Effective Octadecylamine System for Nanocrystal Synthesis Dingsheng Wang and Yadong Li pp 5196–5202 DOI: 10.1021/ic200485v Supporting Info

Cation–Cation Interactions: Crystal Structures of Neptunyl(V) Selenate Hydrates, (NpO2)2(SeO4)(H2O)n (n = 1, 2, and 4) Geng Bang Jin, S. Skanthakumar, and L. Soderholm pp 5203–5214 DOI: 10.1021/ic200479m Supporting Info

Synthesis, Characterization, and Structure–Property Relationships in Two New Polar Oxides: Zn2(MoO4)(SeO3) and Zn2(MoO4)(TeO3) Sau Doan Nguyen, Sang-Hwan Kim, and P. Shiv Halasyamani pp 5215–5222 DOI: 10.1021/ic200511q Supporting Info

Redox Chemistry, Acid Reactivity, and Hydrogenation Reactions of Two-Electron Mixed Valence Diiridium and Dirhodium Complexes Thomas S. Teets, Timothy R. Cook, Brian D. McCarthy, and Daniel G. Nocera pp 5223–5233 DOI: 10.1021/ic2005248 Supporting Info

N-Heterocyclic Carbenes and Charge Separation in Heterometallic s-Block Silylamides Michael S. Hill, Gabriele Kociok-Köhn, and Dugald J. MacDougall pp 5234–5241 DOI: 10.1021/ic2005634 Supporting Info

Conjugated Ligands Modulated Sandwich Structures and Luminescence Properties of Lanthanide Metal–Organic Frameworks Tian-Fu Liu, Wenjuan Zhang, Wen-Hua Sun, and Rong Cao pp 5242–5248 DOI: 10.1021/ic200579j Supporting Info

Synthesis and Characterization of a Series of Model Complexes of the Active Site of [Fe]-Hydrogenase (Hmd) Dafa Chen, Annegret Ahrens-Botzong, Volker Schünemann, Rosario Scopelliti, and Xile Hu pp 5249–5257 DOI: 10.1021/ic200580z Supporting Info

Validation of Speciation Techniques: A Study of Chlorozincate(II) Ionic Liquids Julien Estager, Peter Nockemann, Kenneth R. Seddon, Małgorzata Swadźba-Kwaśny, and Sophie Tyrrell pp 5258–5271 DOI: 10.1021/ic200586u Supporting Info

Synthetic Entry into Polynuclear Bismuth–Manganese Chemistry: High Oxidation State BiIII2MnIV6 and BiIIIMnIII10 Complexes Theocharis C. Stamatatos, Katie Oliver, Khalil A. Abboud, and George Christou pp 5272–5282 DOI: 10.1021/ic200656q Supporting Info

Reaction of an Oxoiron(IV) Complex with Nitrogen Monoxide: Oxygen Atom or Oxide(•1–) Ion Transfer? Travis M. Owen and Jan-Uwe Rohde pp 5283–5289 DOI: 10.1021/ic2007205 Supporting Info

Noble Reaction Features of Bromoborane in Oxidative Addition of B–Br σ-Bond to [M(PMe3)2] (M = Pt or Pd): Theoretical Study Guixiang Zeng and Shigeyoshi Sakaki pp 5290–5297 DOI: 10.1021/ic200749w Supporting Info

Comparison of the Spectroscopic Properties of π-Conjugated, Fused Salphen Triads Embedded with Zn-Homo-, Ni-Homo-, and Ni/Zn-Heteronuclei Hirohiko Houjou, Muneyuki Ito, and Koji Araki pp 5298–5306 DOI: 10.1021/ic200798d Supporting Info

Correction to Prediction of Reliable Metal–PH3 Bond Energies for Ni, Pd, and Pt in the 0 and +2 Oxidation States Raluca Craciun, Andrew J. Vincent, Kevin H. Shaughnessy, and David A. Dixon pp 5307–5307 DOI: 10.1021/ic200849s Supporting Info

Issue 12

Impressive Europium Red Emission Induced by Two-Photon Excitation for Biological Applications Wai-Sum Lo, Wai-Ming Kwok, Ga-Lai Law, Chi-Tung Yeung, Chris Tsz-Leung Chan, Ho-Lun Yeung, Hoi-Kuan Kong, Chi-Hang Chen, Margaret B. Murphy, Ka-Leung Wong, and Wing-Tak Wong pp 5309–5311 DOI: 10.1021/ic102465j Supporting Info

Magnetic Properties of a Manganese(III) Chain with Monoatomic Bridges: catena-MnF(salen) Torben Birk, Kasper S. Pedersen, Stergios Piligkos, Christian Aa. Thuesen, Högni Weihe, and Jesper Bendix pp 5312–5314 DOI: 10.1021/ic2002699 Supporting Info

Nuclearity Control of a Trisaloph Zinc Cluster Complex Dependent on Minute Structural Differences in the Bridging Anions Masaki Yamamura, Hayato Miyazaki, Masaya Iida, Shigehisa Akine, and Tatsuya Nabeshima pp 5315–5317 DOI: 10.1021/ic2002833 Supporting Info

A SnIV–Porphyrin-Based Metal–Organic Framework for the Selective Photo-Oxygenation of Phenol and Sulfides Ming-Hua Xie, Xiu-Li Yang, Chao Zou, and Chuan-De Wu pp 5318–5320 DOI: 10.1021/ic200295h Supporting Info

Proton-Induced Dynamic Equilibrium between Cyclometalated Ruthenium rNHC (Remote N-Heterocyclic Carbene) Tautomers with an NAD+/NADH Function Sumanta Kumar Padhi, Katsuaki Kobayashi, Shinya Masuno, and Koji Tanaka pp 5321–5323 DOI: 10.1021/ic200315f Supporting Info

A Novel Water-Soluble Heptaplatin Analogue with Improved Antitumor Activity and Reduced Toxicity Weiping Liu, Xizhu Chen, Qingsong Ye, Yongping Xu, Chengying Xie, Mingjin Xie, Qiaowen Chang, and Liguang Lou pp 5324–5326 DOI: 10.1021/ic200436u Supporting Info

Rare-Earth-Doped Bifunctional Alkaline-Earth Metal Fluoride Nanocrystals via a Facile Microwave-Assisted Process Min Pang, Dapeng Liu, Yongqian Lei, Shuyan Song, Jing Feng, Weiqiang Fan, and Hongjie Zhang pp 5327–5329 DOI: 10.1021/ic200551g Supporting Info

Open-Framework Copper Adeninate Compounds with Three-Dimensional Microchannels Tailored by Aliphatic Monocarboxylic Acids Sonia Pérez-Yáñez, Garikoitz Beobide, Oscar Castillo, Javier Cepeda, Antonio Luque, Andrés T. Aguayo, and Pascual Román pp 5330–5332 DOI: 10.1021/ic200560b Supporting Info

Bichromophoric Rhodamine–Iridium(III) Sensory System: Modulation of the Energy-Transfer Process through a Selective Sensing Behavior Chunyan Wang and Keith Man-Chung Wong pp 5333–5335 DOI: 10.1021/ic2006315 Supporting Info

Synthesis, Characterization, and Reactivity of the Stable Iron Carbonyl Complex [Fe(CO)(N4Py)](ClO4)2: Photoactivated Carbon Monoxide Release, Growth Inhibitory Activity, and Peptide Ligation Casey S. Jackson, Sara Schmitt, Q. Ping Dou, and Jeremy J. Kodanko pp 5336–5338 DOI: 10.1021/ic200676s Supporting Info

Synthesis, Isolation, and Characterization of an Organometallic Triiodopalladium(IV) Complex. Quantitative and Regioselective Synthesis of Two C–I Reductive Elimination Products José Vicente, Aurelia Arcas, Francisco Juliá-Hernández, and Delia Bautista pp 5339–5341 DOI: 10.1021/ic2006869 Supporting Info

Zn2+’s Ability to Alter the Distribution of Cu2+ among the Available Binding Sites of Aβ(1–16)-Polyethylenglycol-ylated Peptide: Implications in Alzheimer’s Disease Chiara A. Damante, Katalin Ösz, Zoltán Nagy, Giuseppe Grasso, Giuseppe Pappalardo, Enrico Rizzarelli, and Imre Sóvágó pp 5342–5350 DOI: 10.1021/ic101537m

Control of On–Off or Off–On Fluorescent and Optical [Cu2+] and [Hg2+] Responses via Formal Me/H Substitution in Fully Characterized Thienyl “Scorpionate”-like BODIPY Systems Kibong Kim, Shin Hei Choi, June Jeon, Hyosun Lee, Jung Oh Huh, Jaeduk Yoo, Jong Taek Kim, Chang-Hee Lee, Yoon Sup Lee, and David G. Churchill pp 5351–5360 DOI: 10.1021/ic101681h Supporting Info

Comparison of Structure and Reactivity of Phosphine-Amido and Hemilabile Phosphine-Amine Chelates of Rhodium Lindsay J. Hounjet, Robert McDonald, Michael J. Ferguson, and Martin Cowie pp 5361–5378 DOI: 10.1021/ic101883u Supporting Info

pH-Dependent Spectroscopic and Luminescent Properties, and Metal-Ion Recognition Studies of Re(I) Complexes Containing 2-(2′-Pyridyl)benzimidazole and 2-(2′-Pyridyl)benzimidazolate Biing-Chiau Tzeng, Bo-So Chen, Chang-Kai Chen, Yuan-Ping Chang, Wen-Chian Tzeng, Tsung-Yi Lin, Gene-Hsiang Lee, Pi-Tai Chou, Yu-Jie Fu, and A. Hsiu-Hua Chang pp 5379–5388 DOI: 10.1021/ic1019058 Supporting Info

An Approach to Control of Band Gap Energy and Photoluminescence upon Band Gap Excitation in Pr3+-Doped Perovskites La1/3MO3 (M = Nb, Ta):Pr3+ Yoshiyuki Inaguma, Tsunehiro Muronoi, Keiko Sano, Takeshi Tsuchiya, Yuki Mori, Tetsuhiro Katsumata, and Daisuke Mori pp 5389–5395 DOI: 10.1021/ic101955v Supporting Info

Discrimination of Mononuclear and Dinuclear Dinitrosyl Iron Complexes (DNICs) by S K-Edge X-ray Absorption Spectroscopy: Insight into the Electronic Structure and Reactivity of DNICs Tsai-Te Lu, Szu-Hsueh Lai, Ya-Wen Li, I-Jui Hsu, Ling-Yun Jang, Jyh-Fu Lee, I-Chia Chen, and Wen-Feng Liaw pp 5396–5406 DOI: 10.1021/ic102108b Supporting Info

Oxidation of Zinc–Thiolate Complexes of Biological Interest by Hydrogen Peroxide: A Theoretical Study Rima Kassim, Christophe Ramseyer, and Mironel Enescu pp 5407–5416 DOI: 10.1021/ic200267x Supporting Info

Thiophene Based Europium β-Diketonate Complexes: Effect of the Ligand Structure on the Emission Quantum Yield Christelle Freund, William Porzio, Umberto Giovanella, Francesco Vignali, Mariacecilia Pasini, and Silvia Destri , Agnieszka Mech , Sebastiano Di Pietro and Lorenzo Di Bari , Placido Mineo pp 5417–5429 DOI: 10.1021/ic1021164 Supporting Info

Syntheses and Photophysical Properties of Luminescent Mono-cyclometalated Gold(III) cis-Dialkynyl Complexes Jai Anand Garg, Olivier Blacque, and Koushik Venkatesan pp 5430–5441 DOI: 10.1021/ic102216v Supporting Info

Classical Cys2His2 Zinc Finger Peptides Are Rapidly Oxidized by Either H2O2 or O2 Irrespective of Metal Coordination Seung Jae Lee, Jamie L. Michalek, Angelique N. Besold, Steven E. Rokita, and Sarah L. J. Michel pp 5442–5450 DOI: 10.1021/ic102252a Supporting Info

Eu3+-Mediated Polymerization of Benzenetetracarboxylic Acid Studied by Spectroscopy, Temperature-Dependent Calorimetry, and Density Functional Theory Astrid Barkleit, Satoru Tsushima, Olesya Savchuk, Jenny Philipp, Karsten Heim, Margret Acker, Steffen Taut, and Karim Fahmy pp 5451–5459 DOI: 10.1021/ic102292j Supporting Info

Cation Distribution in Co-Doped ZnAl2O4 Nanoparticles Studied by X-ray Photoelectron Spectroscopy and 27Al Solid-State NMR Spectroscopy Xiulan Duan, Duorong Yuan, and Fapeng Yu pp 5460–5467 DOI: 10.1021/ic200433r

Synthesis and Characterization of Iron(II) and Ruthenium(II) Hydrido Hydrazine Complexes Leslie D. Field, Hsiu L. Li, Scott J. Dalgarno, Paul Jensen, and Ruaraidh D. McIntosh pp 5468–5476 DOI: 10.1021/ic102519f Supporting Info

First-Principles Studies on the Efficient Photoluminescent Iridium(III) Complexes with CN═N Ligands Lili Shi, Juanjuan Su, and Zhijian Wu pp 5477–5484 DOI: 10.1021/ic102558p Supporting Info

Enhanced π-Conjugation and Emission via Icosahedral Carboranes: Synthetic and Spectroscopic Investigation Barada Prasanna Dash, Rashmirekha Satapathy, Elizabeth R. Gaillard, Kathleen M. Norton, John A. Maguire, Neha Chug, and Narayan S. Hosmane pp 5485–5493 DOI: 10.1021/ic200010q Supporting Info

Design and Development of Functionalized Cyclometalated Ruthenium Chromophores for Light-Harvesting Applications Kiyoshi C. D. Robson, Bryan D. Koivisto, Aswani Yella, Barbora Sporinova, Mohammad K. Nazeeruddin, Thomas Baumgartner, Michael Grätzel, and Curtis P. Berlinguette pp 5494–5508 DOI: 10.1021/ic200011m Supporting Info

Complex Nanoscale Cage Clusters Built from Uranyl Polyhedra and Phosphate Tetrahedra Daniel K. Unruh, Jie Ling, Jie Qiu, Laura Pressprich, Melissa Baranay, Matthew Ward, and Peter C. Burns pp 5509–5516 DOI: 10.1021/ic200065y Supporting Info

In Vitro Imaging and Human Serum Albumin Responsive Dimeric Lanthanide DO3A Complex Yuen On Fung, Wanqing Wu, Chi-Tung Yeung, Hoi-Kuan Kong, Kenny Kam-Cheng Wong, Wai-Sum Lo, Ga-Lai Law, Ka-Leung Wong, Chi-Kong Lau, Chi-Sing Lee, and Wing-Tak Wong pp 5517–5525 DOI: 10.1021/ic2004672 Supporting Info

EPR, 1H and 2H NMR, and Reactivity Studies of the Iron–Oxygen Intermediates in Bioinspired Catalyst Systems Oleg Y. Lyakin, Konstantin P. Bryliakov, and Evgenii P. Talsi pp 5526–5538 DOI: 10.1021/ic200088e Supporting Info

Shape-Controlled Synthesis of Well-Defined Matlockite LnOCl (Ln: La, Ce, Gd, Dy) Nanocrystals by a Novel Non-Hydrolytic Approach Kenneth R. Kort and Sarbajit Banerjee pp 5539–5544 DOI: 10.1021/ic200114s Supporting Info

High-Temperature Behavior and Polymorphism in Novel Members of the Perovskite Family Pb2LnSbO6 (Ln = Ho, Er, Yb, Lu) Sebastián A. Larrégola, José A. Alonso, Denis Sheptyakov, Miguel Algueró, Angel Muñoz, Vladimir Pomjakushin, and José C. Pedregosa pp 5545–5557 DOI: 10.1021/ic200127a Supporting Info

Coordination Chemistry of the Soft Chiral Lewis Acid [Cp*Ir(TsDPEN)]+ Christopher S. Letko, Zachariah M. Heiden, Thomas B. Rauchfuss, and Scott R. Wilson pp 5558–5566 DOI: 10.1021/ic200160q Supporting Info

Enantiomeric Self-Recognition in Homo- and Heterodinuclear Macrocyclic Lanthanide(III) Complexes Jerzy Lisowski pp 5567–5576 DOI: 10.1021/ic2001909 Supporting Info

Analysis of the Singlet–Triplet Splitting Computed by the Density Functional Theory–Broken-Symmetry Method: Is It an Exchange Coupling Constant? Nicolas Onofrio and Jean-Marie Mouesca pp 5577–5586 DOI: 10.1021/ic200198f Supporting Info

Yb Valence States in YbC2: A HERFD-XANES Spectroscopic Investigation Pascal Link, Pieter Glatzel, Kristina Kvashnina, Ronald I. Smith, and Uwe Ruschewitz pp 5587–5595 DOI: 10.1021/ic200247z Supporting Info

Dinuclear Cobalt(II) and Copper(II) Complexes with a Py2N4S2 Macrocyclic Ligand Cristina Núñez, Rufina Bastida, Luis Lezama, Alejandro Macías, Paulo Pérez-Lourido, and Laura Valencia pp 5596–5604 DOI: 10.1021/ic200287f

Using Pyridinyl-Substituted Diaminotriazines to Bind Pd(II) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals Adam Duong, Thierry Maris, and James D. Wuest pp 5605–5618 DOI: 10.1021/ic2003047 Supporting Info

Polytypism in the Lithium–Aluminum Layered Double Hydroxides: The [LiAl2(OH)6]+ Layer as a Structural Synthon Sylvia Britto and P. Vishnu Kamath pp 5619–5627 DOI: 10.1021/ic200312g Supporting Info

Kinetico-Mechanistic Information about Alkene Hydroamination with Aniline in Bromide-Rich Ionic Media: Importance of Solvolysis Gabriel Aullón, Kerman Gómez, Gabriel González, Susanna Jansat, Manuel Martínez, Rinaldo Poli, and Mireia Rodríguez-Zubiri pp 5628–5636 DOI: 10.1021/ic2003222 Supporting Info

Optical and Photocatalytic Properties of Heavily F–-Doped SnO2 Nanocrystals by a Novel Single-Source Precursor Approach Vinod Kumar, A. Govind, and R. Nagarajan pp 5637–5645 DOI: 10.1021/ic2003436 Supporting Info

Iron(III) Chemistry with Ferrocene-1,1′-dicarboxylic Acid (fdcH2): An Fe7 Cluster with an Oxidized fdc– Ligand Antonio Masello, Yiannis Sanakis, Athanassios K. Boudalis, Khalil A. Abboud, and George Christou pp 5646–5654 DOI: 10.1021/ic200348s Supporting Info

Extending the Family of Titanium Heterometallic–oxo–alkoxy Cages Salvador Eslava, Benjamin P. R. Goodwill, Mary McPartlin, and Dominic S. Wright pp 5655–5662 DOI: 10.1021/ic200350j Supporting Info

Structural Periodicity in Plutonium(IV) Sulfates Richard E. Wilson pp 5663–5670 DOI: 10.1021/ic200384h Supporting Info

A New Organic–Inorganic Hybrid Oxyfluorotitanate [Hgua]2·(Ti5O5F12) as a Transparent UV Filter J. Lhoste, X. Rocquefelte, K. Adil, R. Dessapt, S. Jobic, M. Leblanc, V. Maisonneuve, and M. Bujoli-Doeuff pp 5671–5678 DOI: 10.1021/ic200407h Supporting Info

Syntheses and Characterization of New Mid-Infrared Transparency Compounds: Centric Ba2BiGaS5 and Acentric Ba2BiInS5 Lei Geng, Wen-Dan Cheng, Chen-Sheng Lin, Wei-Long Zhang, Hao Zhang, and Zhang-Zhen He pp 5679–5686 DOI: 10.1021/ic2004358 Supporting Info

Syntheses, Structures, and Magnetic Properties of Three One-Dimensional End-to-End Azide/Cyanate-Bridged Copper(II) Compounds Exhibiting Ferromagnetic Interaction: New Type of Solid State Isomerism Sujit Sasmal, Sohini Sarkar, Núria Aliaga-Alcalde, and Sasankasekhar Mohanta pp 5687–5695 DOI: 10.1021/ic200462g Supporting Info

Coexistence of Intramolecular Ligand-Mediated and Through Hydrogen-Bond Magnetic Interactions in a Chain of Dicopper(II) Units José Sánchez Costa, Nuno A. G. Bandeira, Boris Le Guennic, Vincent Robert, Patrick Gamez, Guillaume Chastanet, Luis Ortiz-Frade, and Laura Gasque pp 5696–5705 DOI: 10.1021/ic200480d Supporting Info

Contribution of Disulfide S22– Anions to the Crystal and Electronic Structures in Ternary Sulfides, Ba12In4S19, Ba4M2S8 (M = Ga, In) Ji-Wei Liu, Peng Wang, and Ling Chen pp 5706–5713 DOI: 10.1021/ic2004936 Supporting Info

New Types of Multishell Nanoclusters with a Frank–Kasper Polyhedral Core in Intermetallics Vladislav A. Blatov, Gregory D. Ilyushin, and Davide M. Proserpio pp 5714–5724 DOI: 10.1021/ic2005024 Supporting Info

Novel Yellow-Emitting Sr8MgLn(PO4)7:Eu2+ (Ln = Y, La) Phosphors for Applications in White LEDs with Excellent Color Rendering Index Chien-Hao Huang and Teng-Ming Chen pp 5725–5730 DOI: 10.1021/ic200515w Supporting Info

Enhancing the Magnetic Coupling of Oxalato-Bridged ReIV2MII (M = Mn, Co, Ni, and Cu) Trinuclear Complexes via Peripheral Halide Ligand Effects José Martínez-Lillo, Teresa F. Mastropietro, Giovanni De Munno, Francesc Lloret, Miguel Julve, and Juan Faus pp 5731–5739 DOI: 10.1021/ic200531s Supporting Info

Stabilization of Noncondensed (AsIIIS3)3– Anions by Coordinating to [MnII(phen)]2+ Complex Cations: a Mixed-Valent Thioarsenate (III, V) {[Mn(phen)]3(AsVS4)(AsIIIS3)}n·nH2O Showing the Coexistence of Antiferromagnetic Order, Photoluminescence, and Nonlinear Optical Properties Guang-Ning Liu, Xiao-Ming Jiang, Mei-Feng Wu, Guan-E Wang, Guo-Cong Guo, and Jin-Shun Huang pp 5740–5746 DOI: 10.1021/ic2005562 Supporting Info

Structural Studies and Electrical Properties of Cs/Al/Te/O Phases with the Pyrochlore Structure Jun Li, Theeranun Siritanon, Judith K. Stalick, Arthur W. Sleight, and M. A. Subramanian pp 5747–5754 DOI: 10.1021/ic200574v Supporting Info

Alkali-Metal-Supported Bismuth Polyhedra—Principles and Theoretical Studies Kirill Yu. Monakhov, Gerald Linti, Lando P. Wolters, and F. Matthias Bickelhaupt pp 5755–5762 DOI: 10.1021/ic200596c Supporting Info

Redox Noninnocence of Nitrosoarene Ligands in Transition Metal Complexes Neil C. Tomson, Liezel A. Labios, Thomas Weyhermüller, Joshua S. Figueroa, and Karl Wieghardt pp 5763–5776 DOI: 10.1021/ic2005979 Supporting Info

Contrasting Reactivity and Cancer Cell Cytotoxicity of Isoelectronic Organometallic Iridium(III) Complexes Zhe Liu, Luca Salassa, Abraha Habtemariam, Ana M. Pizarro, Guy J. Clarkson, and Peter J. Sadler pp 5777–5783 DOI: 10.1021/ic200607j Supporting Info

Synthesis of Blue Imino(pentafluorophenyl)phosphane Marcus Kuprat, Mathias Lehmann, Axel Schulz, and Alexander Villinger pp 5784–5792 DOI: 10.1021/ic200623x Supporting Info

On the Complexity of Kinetics and the Mechanism of the Thiosulfate–Periodate Reaction Evelin Rauscher, György Csekő, and Attila K. Horváth pp 5793–5802 DOI: 10.1021/ic2006309 Supporting Info

Rational Approach to Endo/Exocoordinated Heteronuclear Macrocyclic Network: Supramolecular Hg(ll), Cu(ll), and Hg(ll)/Cu(ll) Complexes of a NS4 Macrocycle Eunji Lee and Shim Sung Lee pp 5803–5807 DOI: 10.1021/ic200684x Supporting Info

Homoleptic Hexa and Penta Gallylene Coordinated Complexes of Molybdenum and Rhodium Timo Bollermann, Thomas Cadenbach, Christian Gemel, Kerstin Freitag, Mariusz Molon, Vanessa Gwildies, and Roland A. Fischer pp 5808–5814 DOI: 10.1021/ic200699f Supporting Info

Electronic and Molecular Structures of trans-Dioxotechnetium(V) Polypyridyl Complexes in the Solid State Sayandev Chatterjee, Andrew S. Del Negro, Zheming Wang, Matthew K. Edwards, Frances N. Skomurski, Sean E. Hightower, Jeanette A. Krause, Brendan Twamley, B. Patrick Sullivan, Christian Reber, William R. Heineman, Carl J. Seliskar, and Samuel A. Bryan pp 5815–5823 DOI: 10.1021/ic200747v Supporting Info

Cluster Expansion Reactions of Group 6 and 8 Metallaboranes Using Transition Metal Carbonyl Compounds of Groups 7–9 K. Geetharani, Shubhankar Kumar Bose, Satyanarayan Sahoo, Babu Varghese, Shaikh M. Mobin, and Sundargopal Ghosh pp 5824–5832 DOI: 10.1021/ic200802c Supporting Info

The Étard Reaction: A DFT Study Markus Drees and Thomas Strassner pp 5833–5840 DOI: 10.1021/ic200877f Supporting Info

Directly Assembling Ligand-Free ZnO Nanocrystals into Three-Dimensional Mesoporous Structures by Oriented Attachment Yunxin Liu, Dingsheng Wang, Qing Peng, Deren Chu, Xiangwen Liu, and Yadong Li pp 5841–5847 DOI: 10.1021/ic2009013 Supporting Info

Correction to Photochemistry of trans-Cr(cyclam)(ONO)2+, a Nitric Oxide Precursor Alexis D. Ostrowski, Ryan O. Absalonson, Malcolm A. De Leo, Guang Wu, James G. Pavlovich, Janet Adamson, Bilal Azhar, Alexei V. Iretskii, Ian L. Megson, and Peter C. Ford pp 5848–5848 DOI: 10.1021/ic200888n Supporting Info

Issue 13

Inorganic Chemistry and IONiC: An Online Community Bringing Cutting-Edge Research into the Classroom Elizabeth R. Jamieson, Hilary J. Eppley, Margret J. Geselbracht, Adam R. Johnson, Barbara A. Reisner, Sheila R. Smith, Joanne L. Stewart, Lori A. Watson, and B. Scott Williams pp 5849–5854 DOI: 10.1021/ic2006919

Combining the Pair Distribution Function and Computational Methods To Understand Lithium Insertion in Brookite (TiO2) Damien Dambournet, Karena W. Chapman, Marina V. Koudriachova, Peter J. Chupas, Ilias Belharouak, and Khalil Amine pp 5855–5857 DOI: 10.1021/ic2004326 Supporting Info

New Oxides Showing an Intense Orange Color Based on Fe3+ in Trigonal-Bipyramidal Coordination Peng Jiang, Jun Li, Arthur W. Sleight, and M. A. Subramanian pp 5858–5860 DOI: 10.1021/ic200535c Supporting Info

Application of Circular Dichroism Spectroscopy in the Study of Mixed-Valence Asymmetric Ruthenium Polypyridyl Complexes Hamid M. Y. Ahmed, Nadia Coburn, Danilo Dini, Jaap J. D. de Jong, Claudio Villani, Wesley R. Browne, and Johannes G. Vos pp 5861–5863 DOI: 10.1021/ic200633a Supporting Info

Synthesis and Reactivity of a Transition Metal Complex Containing Exclusively TEMPO Ligands: Ni(η2-TEMPO)2 Derek Isrow and Burjor Captain pp 5864–5866 DOI: 10.1021/ic2007342 Supporting Info

Metallocorrole Dendrimers: Sensitive Corrole–Chromium(V)–Nitride Spin Probes for Studying the Solution Structure of Dendrimers Michael Pittelkow, Theis Brock-Nannestad, Jesper Bendix, and Jørn B. Christensen pp 5867–5869 DOI: 10.1021/ic200739y Supporting Info

Cs2USi6O15: A Tetravalent Uranium Silicate Hsin-Kuan Liu and Kwang-Hwa Lii pp 5870–5872 DOI: 10.1021/ic200771p Supporting Info

Alkaline-Earth Metal Hydrides as Novel Host Lattices for EuII Luminescence Nathalie Kunkel, Holger Kohlmann, Adlane Sayede, and Michael Springborg pp 5873–5875 DOI: 10.1021/ic200801x Supporting Info

Mixed-Metal Complexes Incorporating Platinum and Lanthanide Centers for Selective Binding and Chirality Sensing of Succinates Satoshi Shinoda, Akihiko Mizote, Miyuki Eiraku Masaki, Minoru Yoneda, Hiroyuki Miyake, and Hiroshi Tsukube pp 5876–5878 DOI: 10.1021/ic200853u Supporting Info

Study of the Luminescent and Magnetic Properties of a Series of Heterodinuclear [ZnIILnIII] Complexes Traian D. Pasatoiu, Carmen Tiseanu, Augustin M. Madalan, Bogdan Jurca, Carine Duhayon, Jean Pascal Sutter, and Marius Andruh pp 5879–5889 DOI: 10.1021/ic200426w Supporting Info

Preparation, Crystal Structures, and Magnetic Features for a Series of Dinuclear [NiIILnIII] Schiff-Base Complexes: Evidence for Slow Relaxation of the Magnetization for the DyIII Derivative Traian D. Pasatoiu, Jean-Pascal Sutter, Augustin M. Madalan, Fatima Zohra Chiboub Fellah, Carine Duhayon, and Marius Andruh pp 5890–5898 DOI: 10.1021/ic2004276 Supporting Info

Ionic Liquid-Enhanced Photooxidation of Water Using the Polyoxometalate Anion [P2W18O62]6– as the Sensitizer Gianluca Bernardini, Chuan Zhao, Anthony G. Wedd, and Alan M. Bond pp 5899–5909 DOI: 10.1021/ic1016627 Supporting Info

Influence of the Nature of the Absorption Band on the Potential Performance of High Molar Extinction Coefficient Ruthenium(II) Polypyridinic Complexes As Dyes for Sensitized Solar Cells Francisco Gajardo, Mauricio Barrera, Ricardo Vargas, Irma Crivelli, and Barbara Loeb pp 5910–5924 DOI: 10.1021/ic1020862 Supporting Info

Structural and Electronic Modulation of Magnetic Properties in a Family of Chiral Iron Coordination Polymers Lihong Li, Jan M. Becker, Laura E. N. Allan, Guy J. Clarkson, Scott S. Turner, and Peter Scott pp 5925–5935 DOI: 10.1021/ic102291r Supporting Info

Synthesis of Molybdenum Nitrido Complexes for Triple-Bond Metathesis of Alkynes and Nitriles Eric S. Wiedner, Kimberley J. Gallagher, Marc J. A. Johnson, and Jeff W. Kampf pp 5936–5945 DOI: 10.1021/ic1024247 Supporting Info

Redox Properties of Tanaka’s Water Oxidation Catalyst: Redox Noninnocent Ligands Dominate the Electronic Structure and Reactivity Soumya Ghosh and Mu-Hyun Baik pp 5946–5957 DOI: 10.1021/ic102427g Supporting Info

Structure-Directing and Template Roles of Aromatic Molecules in the Self-Assembly Formation Process of 3D Holmium–Succinate MOFs María C. Bernini, Natalia Snejko, Enrique Gutierrez-Puebla, Elena V. Brusau, Griselda E. Narda, and M. Ángeles Monge pp 5958–5968 DOI: 10.1021/ic102472u Supporting Info

Phosphorescent Iridium(III) Complex with an NO Ligand as a Hg2+-Selective Chemodosimeter and Logic Gate Yi Liu, Meiyi Li, Qiang Zhao, Huazhou Wu, Kewei Huang, and Fuyou Li pp 5969–5977 DOI: 10.1021/ic102481x Supporting Info

Complexes Formed in Solution Between Vanadium(IV)/(V) and the Cyclic Dihydroxamic Acid Putrebactin or Linear Suberodihydroxamic Acid Amalie A. H. Pakchung, Cho Zin Soe, Tulip Lifa, and Rachel Codd pp 5978–5989 DOI: 10.1021/ic1025119 Supporting Info

Structural, Electronic, and Magnetic Properties of Quasi-1D Quantum Magnets [Ni(HF2)(pyz)2]X (pyz = pyrazine; X = PF6–, SbF6–) Exhibiting Ni-FHF-Ni and Ni-pyz-Ni Spin Interactions Jamie L. Manson, Saul H. Lapidus, Peter W. Stephens, Peter K. Peterson, Kimberly E. Carreiro, Heather I. Southerland, Tom Lancaster, Stephen J. Blundell, Andrew J. Steele, Paul A. Goddard, Francis L. Pratt, John Singleton, Yoshimitsu Kohama, Ross D. McDonald, Rico E. Del Sesto, Nickolaus A. Smith, Jesper Bendix, Sergei A. Zvyagin, Jinhee Kang, Changhoon Lee, Myung-Hwan Whangbo, Vivien S. Zapf, and Alex Plonczak pp 5990–6009 DOI: 10.1021/ic102532h Supporting Info

Refined Crystal Structure and Idealized Structure of Mixed-Valent Eu4F5(CN2)2: Transition Possible Leonid Unverfehrt, Markus Ströbele, Jochen Glaser, Thorsten Langer, Rolf-Dieter Hoffmann, Rainer Pöttgen, and H.-Jürgen Meyer pp 6010–6018 DOI: 10.1021/ic102556u Supporting Info

Systematic Modulation of a Bichromic Cyclometalated Ruthenium(II) Scaffold Bearing a Redox-Active Triphenylamine Constituent Kiyoshi C. D. Robson, Barbora Sporinova, Bryan D. Koivisto, Eduardo Schott, Douglas G. Brown, and Curtis P. Berlinguette pp 6019–6028 DOI: 10.1021/ic1025679 Supporting Info

Synthesis, Reactivity, and Properties of N-Fused Porphyrin Manganese(I) Tricarbonyl Complexes Shinya Ikeda, Motoki Toganoh, and Hiroyuki Furuta pp 6029–6043 DOI: 10.1021/ic2000393 Supporting Info

New Ru(II) Complexes Containing Oxazoline Ligands As Epoxidation Catalysts. Influence of the Substituents on the Catalytic Performance Isabel Serrano, M. Isabel López, Íngrid Ferrer, Albert Poater, Teodor Parella, Xavier Fontrodona, Miquel Solà, Antoni Llobet, Montserrat Rodríguez, and Isabel Romero pp 6044–6054 DOI: 10.1021/ic200053f Supporting Info

Synthesis and Anion Sensing of Water-Soluble Metallomacrocycles Liao-Yuan Yao, Lin Qin, Ting-Zheng Xie, Yi-Zhi Li, and Shu-Yan Yu pp 6055–6062 DOI: 10.1021/ic200047t Supporting Info

A Study on Applications of N-Substituted Main-Chain NHC-Palladium Polymers as Recyclable Self-Supported Catalysts for the Suzuki–Miyaura Coupling of Aryl Chlorides in Water Babak Karimi and Pari Fadavi Akhavan pp 6063–6072 DOI: 10.1021/ic2000766 Supporting Info

Highly Linear Self-Assembled Porphyrin Wires Matthieu Koepf, Jonas Conradt, Jȩdrzej Szmytkowski, Jennifer A. Wytko, Lionel Allouche, Heinz Kalt, Teodor Silviu Balaban, and Jean Weiss pp 6073–6082 DOI: 10.1021/ic2001255 Supporting Info

Metal Binding to Ligand-Containing Peptide Nucleic Acids Zhijie Ma, Frank Olechnowicz, Yury A. Skorik, and Catalina Achim pp 6083–6092 DOI: 10.1021/ic200138b Supporting Info

Complete Family of Mono-, Bi-, and Trinuclear ReI(CO)3Cl Complexes of the Bridging Polypyridyl Ligand 2,3,8,9,14,15-Hexamethyl-5,6,11,12,17,18-hexaazatrinapthalene: Syn/Anti Isomer Separation, Characterization, and Photophysics Michael G. Fraser, Charlotte A. Clark, Raphael Horvath, Samuel J. Lind, Allan G. Blackman, Xue-Zhong Sun, Michael W. George, and Keith C. Gordon pp 6093–6106 DOI: 10.1021/ic200136t Supporting Info

Construction of Functionalized Metallosupramolecular Tetragonal Prisms via Multicomponent Coordination-Driven Self-Assembly Ming Wang, Yao-Rong Zheng, Timothy R. Cook, and Peter J. Stang pp 6107–6113 DOI: 10.1021/ic2002157 Supporting Info

Cobalt Complexes with “Click”-Derived Functional Tripodal Ligands: Spin Crossover and Coordination Ambivalence David Schweinfurth, Fritz Weisser, Denis Bubrin, Lapo Bogani, and Biprajit Sarkar pp 6114–6121 DOI: 10.1021/ic200246v Supporting Info

Photoinduced Intramolecular Tryptophan Oxidation and Excited-State Behavior of [Re(L-AA)(CO)3(α-diimine)]+ (L = Pyridine or Imidazole, AA = Tryptophan, Tyrosine, Phenylalanine) Ana María Blanco-Rodríguez, Mike Towrie, J. Sýkora, Stanislav Záliš, and Antonín Vlček, Jr. pp 6122–6134 DOI: 10.1021/ic200252z Supporting Info

Metal Binding Ability of Cysteine-Rich Peptide Domain of ZIP13 Zn2+ Ions Transporter Slawomir Potocki, Magdalena Rowinska-Zyrek, Daniela Valensin, Karolina Krzywoszynska, Danuta Witkowska, Marek Luczkowski, and Henryk Kozlowski pp 6135–6145 DOI: 10.1021/ic200270p

Refinement of the α-U4O9 Crystalline Structure: New Insight into the U4O9 → U3O8 Transformation L. Desgranges, G. Baldinozzi, D. Siméone, and H. E. Fischer pp 6146–6151 DOI: 10.1021/ic200316b Supporting Info

Dinuclear Co(II)Co(III) Mixed-Valence and Co(III)Co(III) Complexes with N- and O-Donor Ligands: Characterization and Water Oxidation Studies Jia Luo, Nigam P. Rath, and Liviu M. Mirica pp 6152–6157 DOI: 10.1021/ic201031s Supporting Info

Dioxygen and Hydrogen Peroxide Reduction with Hemocyanin Model Complexes Matthew A. Thorseth, Christopher S. Letko, Thomas B. Rauchfuss, and Andrew A. Gewirth pp 6158–6162 DOI: 10.1021/ic200386d Supporting Info

Binuclear Pt–Tl Bonded Complex with Square Pyramidal Coordination around Pt: A Combined Multinuclear NMR, EXAFS, UV–Vis, and DFT/TDDFT Study in Dimethylsulfoxide Solution Mihály Purgel, Mikhail Maliarik, Julius Glaser, Carlos Platas-Iglesias, Ingmar Persson, and Imre Tóth pp 6163–6173 DOI: 10.1021/ic200417q Supporting Info

Synthesis, Characterization, and Electrochemical Properties of a Series of Sterically Varied Iron(II) Alkoxide Precursors and Their Resultant Nanoparticles Timothy J. Boyle, Leigh Anna M. Ottley, Christopher A. Apblett, Constantine A. Stewart, Sarah M. Hoppe, Krista L. Hawthorne, and Mark A. Rodriguez pp 6174–6182 DOI: 10.1021/ic200423m Supporting Info

[HxTeV9O28](5–x)– (x = 1 and 2): Vanadotellurates with Decavanadate Structure Saki Konaka, Yoshiki Ozawa, Takahiro Shonaka, Shinta Watanabe, and Atsushi Yagasaki pp 6183–6188 DOI: 10.1021/ic200438p Supporting Info

Nanocrystals of CeVO4 Doped by Metallic Heteroions Yeqian Shen, Yucheng Huang, Sujuan Zheng, Xuefeng Guo, Zhao-Xu Chen, Luming Peng, and Weiping Ding pp 6189–6194 DOI: 10.1021/ic200459t

Reactivity of Diaminogermylenes with Ruthenium Carbonyl: Ru3Ge3 and RuGe2 Derivatives Javier A. Cabeza, Pablo García-Álvarez, and Diego Polo pp 6195–6199 DOI: 10.1021/ic2009682 Supporting Info

Theoretical Study of Oxidation of Cyclohexane Diol to Adipic Anhydride by [RuIV(O)(tpa)(H2O)]2+ Complex (tpa ═ Tris(2-pyridylmethyl)amine) Yoshihito Shiota, Jorge M. Herrera, Gergely Juhász, Takafumi Abe, Shingo Ohzu, Tomoya Ishizuka, Takahiko Kojima, and Kazunari Yoshizawa pp 6200–6209 DOI: 10.1021/ic200481n Supporting Info

Design and Synthesis of a Bombesin Peptide-Conjugated Tripodal Phosphino Dithioether Ligand Topology for the Stabilization of the fac-[M(CO)3]+ Core (M = 99 mTc or Re) Raghuraman Kannan, Nagavarakishore Pillarsetty, Hariprasad Gali, Timothy J. Hoffman, Charles L. Barnes, Silvia S. Jurisson, Charles J. Smith, and Wynn A. Volkert pp 6210–6219 DOI: 10.1021/ic200491z Supporting Info

Ruthenium Hydride Complexes of the Hindered Phosphine Ligand Tris(3-diisopropylphosphinopropyl)phosphine Mohan M. Bhadbhade, Leslie D. Field, Ryan Gilbert-Wilson, Ruth W. Guest, and Paul Jensen pp 6220–6228 DOI: 10.1021/ic200492w Supporting Info

Theoretical Determination of the Zero-Field Splitting in Copper Acetate Monohydrate Rémi Maurice, Kanthen Sivalingam, Dmitry Ganyushin, Nathalie Guihéry, Coen de Graaf, and Frank Neese pp 6229–6236 DOI: 10.1021/ic200506q Supporting Info

Reactive Facets Covered Mosaic Spheres of Anatase TiO2 and Related Pseudo-Isotropic Effect Guolei Xiang, Tianyang Li, and Xun Wang pp 6237–6242 DOI: 10.1021/ic200553t Supporting Info

Occurence of an Octanuclear Motif of Uranyl Isophthalate with Cation–Cation Interactions through Edge-Sharing Connection Mode Ionut Mihalcea, Natacha Henry, Nicolas Clavier, Nicolas Dacheux, and Thierry Loiseau pp 6243–6249 DOI: 10.1021/ic2005584 Supporting Info

Synthesis, Crystal Structures, and Magnetic Properties of a New Family of Heterometallic Cyanide-Bridged FeIII2MII2 (M = Mn, Ni, and Co) Square Complexes Emilio Pardo, Michel Verdaguer, Patrick Herson, Helene Rousselière, Joan Cano, Miguel Julve, Francesc Lloret, and Rodrigue Lescouëzec pp 6250–6262 DOI: 10.1021/ic200616p Supporting Info

On the Oxidation of EuFe4Sb12 and EuRu4Sb12 Jessica M. Peddle, Michael W. Gaultois, and Andrew P. Grosvenor pp 6263–6268 DOI: 10.1021/ic200619c

Ammonia Activation by μ3-Alkylidyne Fragments Supported on a Titanium Molecular Oxide Model Sonia Aguado-Ullate, Jorge J. Carbó, Octavio González-del Moral, Avelino Martín, Miguel Mena, Josep.-M. Poblet, and Cristina Santamaría pp 6269–6279 DOI: 10.1021/ic2006327 Supporting Info

The [MoFe3S4]2+ Oxidation State: Synthesis, Substitution Reactions, and Structures of Phosphine-Ligated Cubane-Type Clusters with the S = 2 Ground State Bin Xi and R. H. Holm pp 6280–6288 DOI: 10.1021/ic200641k Supporting Info

Scaffolding, Ladders, Chains, and Rare Ferrimagnetism in Intermetallic Borides: Synthesis, Crystal Chemistry and Magnetism Christian Goerens, Jakoah Brgoch, Gordon J. Miller, and Boniface P. T. Fokwa pp 6289–6296 DOI: 10.1021/ic200668j Supporting Info

Two New Neptunyl(V) Selenites: A Novel Cation–Cation Interaction Framework in (NpO2)3(OH)(SeO3)(H2O)2·H2O and a Uranophane-Type Sheet in Na(NpO2)(SeO3)(H2O) Geng Bang Jin, S. Skanthakumar, and L. Soderholm pp 6297–6303 DOI: 10.1021/ic200696g Supporting Info

Highly Luminescent Mixed-Metal Pt(II)/Ir(III) Complexes: Bis-Cyclometalation of 4,6-Diphenylpyrimidine As a Versatile Route to Rigid Multimetallic Assemblies Valery N. Kozhevnikov, Marcus C. Durrant, and J. A. Gareth Williams pp 6304–6313 DOI: 10.1021/ic200706e Supporting Info

Magnetic Systems with Mixed Carboxylate and Azide Bridges: Slow Relaxation in Co(II) Metamagnet and Spin Frustration in Mn(II) Compound Yan-Qin Wang, Xiu-Mei Zhang, Xiu-Bing Li, Bing-Wu Wang, and En-Qing Gao pp 6314–6322 DOI: 10.1021/ic200732f Supporting Info

Templated Construction of a Zn-Selective Protein Dimerization Motif Eric N. Salgado, Jeffrey D. Brodin, Magnus M. To, and F. Akif Tezcan pp 6323–6329 DOI: 10.1021/ic200746m Supporting Info

Chemical Bonding in Cesium Uranyl Chloride Based on the Experimental Electron Density Distribution Vladimir V. Zhurov, Elizabeth A. Zhurova, and A. Alan Pinkerton pp 6330–6333 DOI: 10.1021/ic200759u Supporting Info

Palladium(II) Complexes of Readily Functionalized Bidentate 2-Pyridyl-1,2,3-triazole “Click” Ligands: A Synthetic, Structural, Spectroscopic, and Computational Study Kelly J. Kilpin, Emma L. Gavey, C. John McAdam, Christopher B. Anderson, Samuel J. Lind, Courtney C. Keep, Keith C. Gordon, and James D. Crowley pp 6334–6346 DOI: 10.1021/ic200789b Supporting Info

Pressure-Induced Local Structure Distortions in Cu(pyz)F2(H2O)2 J. L. Musfeldt, Z. Liu, S. Li, J. Kang, C. Lee, P. Jena, J. L. Manson, J. A. Schlueter, G. L. Carr, and M.-H. Whangbo pp 6347–6352 DOI: 10.1021/ic2008039

Calorimetric Study on Coordination of Tridentate Imidazolyl Calix[6]arene Ligands to Zinc Ion in Organic Solvents Koji Kano, Masataka Kondo, Haruka Inoue, Hiroaki Kitagishi, Benoit Colasson, and Olivia Reinaud pp 6353–6360 DOI: 10.1021/ic200809k Supporting Info

Chemical Reactivity and Electrochemistry of Metal–Metal-Bonded Zincocenes Mario Carrasco, Riccardo Peloso, Irene Resa, Amor Rodríguez, Luis Sánchez, Eleuterio Álvarez, Celia Maya, Rafael Andreu, Juan José Calvente, Agustín Galindo, and Ernesto Carmona pp 6361–6371 DOI: 10.1021/ic200816f Supporting Info

High-Pressure Synthesis and Superconductivity of a New Binary Barium Germanide BaGe3 Hiroshi Fukuoka, Yusuke Tomomitsu, and Kei Inumaru pp 6372–6377 DOI: 10.1021/ic200826d Supporting Info

1,3-Bis(thiophosphinoyl)indene: A Unique and Versatile Scaffold for Original Polymetallic Complexes Noel Nebra, Nathalie Saffon, Laurent Maron, Blanca Martin−Vaca, and Didier Bourissou pp 6378–6383 DOI: 10.1021/ic200842z Supporting Info

Moderately Reactive Molecules Forming Stable Ionic Compounds with Superhalogens Celina Sikorska and Piotr Skurski pp 6384–6391 DOI: 10.1021/ic200945e

High-Pressure Synthesis and Correlation between Structure, Magnetic, and Dielectric Properties in LiNbO3-Type MnMO3 (M = Ti, Sn) Akihisa Aimi, Tetsuhiro Katsumata, Daisuke Mori, Desheng Fu, Mitsuru Itoh, Tôru Kyômen, Ko-ichi Hiraki, Toshihiro Takahashi, and Yoshiyuki Inaguma pp 6392–6398 DOI: 10.1021/ic201006q Supporting Info

Issue 14

Electronic Structure of the Two-Leg Spin Ladder (C5H12N)2CuBr4 Pere Alemany, Antonio Rodríguez-Fortea, and Enric Canadell pp 6399–6401 DOI: 10.1021/ic200679x

Oxygen Activation and Intramolecular C–H Bond Activation by an Amidate-Bridged Diiron(II) Complex Matthew B. Jones, Kenneth I. Hardcastle, Karl S. Hagen, and Cora E. MacBeth pp 6402–6404 DOI: 10.1021/ic2007183 Supporting Info

Paramagnetic–Diamagnetic Phase Transition Accompanied by Coordination Bond Formation–Dissociation in the Dithiolate Complex Na[Ni(pdt)2]·2H2O Shinya Takaishi, Nozomi Ishihara, Kazuya Kubo, Keiichi Katoh, Brian K. Breedlove, Hitoshi Miyasaka, and Masahiro Yamashita pp 6405–6407 DOI: 10.1021/ic2003172 Supporting Info

Reversible (De)protonation-Induced Valence Inversion in Mixed-Valent Diiron(II,III) Complexes Eric Gouré, Grégory Thiabaud, Michaël Carboni, Nathalie Gon, Patrick Dubourdeaux, Ricardo Garcia-Serres, Martin Clémancey, Jean-Louis Oddou, Adeline Y. Robin, Lilian Jacquamet, Lionel Dubois, Geneviève Blondin, and Jean-Marc Latour pp 6408–6410 DOI: 10.1021/ic2007414 Supporting Info

NCN-Chelated Organoantimony(III) and Organobismuth(III) Phosphates: Synthesis and Solid-State and Solution Structures Tomáš Svoboda, Libor Dostál, Roman Jambor, Aleš Růžička, Robert Jirásko, and Antonín Lyčka pp 6411–6413 DOI: 10.1021/ic2009144 Supporting Info

Two New Ternary Complexes of Copper(II) with Tetracycline or Doxycycline and 1,10-Phenanthroline and Their Potential as Antitumoral: Cytotoxicity and DNA Cleavage Priscila P. Silva, Wendell Guerra, Josiane N. Silveira, Ana Maria da C. Ferreira, Tiago Bortolotto, Franciele L. Fischer, Hernán Terenzi, Ademir Neves, and Elene C. Pereira-Maia pp 6414–6424 DOI: 10.1021/ic101791r Supporting Info

Dual Molecular Light Switches for pH and DNA Based on a Novel Ru(II) Complex. A Non-Intercalating Ru(II) Complex for DNA Molecular Light Switch An-Guo Zhang, You-Zhuan Zhang, Zhi-Ming Duan, and Ke-Zhi Wang , Hui-Bo Wei, Zu-Qiang Bian, and Chun-Hui Huang pp 6425–6436 DOI: 10.1021/ic102126m Supporting Info

Manganese(III)-Containing Wells–Dawson Sandwich-Type Polyoxometalates: Comparison with their Manganese(II) Counterparts Mounim Lebrini, Israël M. Mbomekallé, Anne Dolbecq, Jérôme Marrot, Patrick Berthet, Joseline Ntienoue, Francis Sécheresse, Jacky Vigneron, and Arnaud Etcheberry pp 6437–6448 DOI: 10.1021/ic102237x Supporting Info

Theoretical Investigation into the Mechanism of Reductive Elimination from Bimetallic Palladium Complexes Alireza Ariafard, Christopher J. T. Hyland, Allan J. Canty, Manab Sharma, and Brian F. Yates pp 6449–6457 DOI: 10.1021/ic102323s Supporting Info

Ternary Dinuclear Copper(II) Complexes of a Hydroxybenzamide Ligand with Diimine Coligands: the 5,6-dmp Ligand Enhances DNA Binding and Cleavage and Induces Apoptosis Sethu Ramakrishnan, Dhanasekaran Shakthipriya, Eringathodi Suresh, Vaiyapuri Subbarayan Periasamy, Mohammad Abdulkader Akbarsha, and Mallayan Palaniandavar pp 6458–6471 DOI: 10.1021/ic1024185 Supporting Info

Influence of Calcium-Induced Aggregation on the Sensitivity of Aminobis(methylenephosphonate)-Containing Potential MRI Contrast Agents Jörg Henig, Ilgar Mamedov, Petra Fouskova, Éva Tóth, Nikos K. Logothetis, Goran Angelovski, and Hermann A. Mayer pp 6472–6481 DOI: 10.1021/ic1024235 Supporting Info

Morphology-Controllable Synthesis of Cobalt Oxalates and Their Conversion to Mesoporous Co3O4 Nanostructures for Application in Supercapacitors Dewei Wang, Qihua Wang, and Tingmei Wang pp 6482–6492 DOI: 10.1021/ic200309t Supporting Info

Synthesis, Structure, Chemical Stability, and Electrical Properties of Nb-, Zr-, and Nb-Codoped BaCeO3 Perovskites Surinderjit Singh Bhella, Tobias Fürstenhaupt, Reginald Paul, and Venkataraman Thangadurai pp 6493–6499 DOI: 10.1021/ic201008v Supporting Info

Actinide Metals with Multiple Bonds to Carbon: Synthesis, Characterization, and Reactivity of U(IV) and Th(IV) Bis(iminophosphorano)methandiide Pincer Carbene Complexes Guibin Ma, Michael J. Ferguson, Robert McDonald, and Ronald G. Cavell pp 6500–6508 DOI: 10.1021/ic102537q Supporting Info

Luminescence Properties and Quenching Mechanisms of Ln(Tf2N)3 Complexes in the Ionic Liquid bmpyr Tf2N Amber Brandner, Taizo Kitahara, Nick Beare, Cuikun Lin, Mary T. Berry, and P. Stanley May pp 6509–6520 DOI: 10.1021/ic102538m Supporting Info

A Novel Strategy To Assemble Achiral Ligands to Chiral Helical Polyrotaxane Structures Jin-Ping Zeng, Hang Cong, Kai Chen, Sai-Feng Xue, Yun-Qian Zhang, Qian-Jiang Zhu, Jing-Xin Liu, and Zhu Tao pp 6521–6525 DOI: 10.1021/ic200850r Supporting Info

Synthesis of Uniform and Dispersive Calcium Carbonate Nanoparticles in a Protein Cage through Control of Electrostatic Potential Hiroko Fukano, Takuya Takahashi, Mamoru Aizawa, and Hideyuki Yoshimura pp 6526–6532 DOI: 10.1021/ic200117x

Behavior of Ag3 Clusters Inside a Nanometer-Sized Space of ZSM-5 Zeolite Takashi Yumura, Tomohiro Nanba, Hiroe Torigoe, Yasushige Kuroda, and Hisayoshi Kobayashi pp 6533–6542 DOI: 10.1021/ic2001514 Supporting Info

Reversible Fluorescent Probe for Highly Selective and Sensitive Detection of Mercapto Biomolecules Jiasheng Wu, Ruilong Sheng, Weimin Liu, Pengfei Wang, Jingjin Ma, Hongyan Zhang, and Xiaoqing Zhuang pp 6543–6551 DOI: 10.1021/ic200181p Supporting Info

Luminescence Investigation on Ultraviolet-Emitting Rare-Earth-Doped Phosphors Using Synchrotron Radiation Chien-Hao Huang, Teng-Ming Chen, and Bing-Ming Cheng pp 6552–6556 DOI: 10.1021/ic2001877

Complexation of Lanthanides(III), Americium(III), and Uranium(VI) with Bitopic N,O Ligands: an Experimental and Theoretical Study Cécile Marie, Manuel Miguirditchian, Dominique Guillaumont, Arnaud Tosseng, Claude Berthon, Philippe Guilbaud, Magali Duvail, Julia Bisson, Denis Guillaneux, Muriel Pipelier, and Didier Dubreuil pp 6557–6566 DOI: 10.1021/ic200271e Supporting Info

Two-Electron Oxidation of Deoxyguanosine by a Ru(III) Complex without Involving Oxygen Molecules through Disproportionation Sunhee Choi, DaWeon Ryu, Joseph G. DellaRocca, Matthew W. Wolf, and Justin A. Bogart pp 6567–6574 DOI: 10.1021/ic2003518 Supporting Info

Encapsulation of Anion/Cation in the Central Cavity of Tetrameric Polyoxometalate, Composed of Four Trititanium(IV)-Substituted α-Dawson Subunits, Initiated by Protonation/Deprotonation of the Bridging Oxygen Atoms on the Intramolecular Surface Yoshitaka Sakai, Shuji Ohta, Yukihiro Shintoyo, Shoko Yoshida, Yuhki Taguchi, Yusuke Matsuki, Satoshi Matsunaga, and Kenji Nomiya pp 6575–6583 DOI: 10.1021/ic200355e Supporting Info

Synthesis with Structural and Electronic Characterization of Homoleptic Fe(II)- and Fe(III)-Fluorinated Phenolate Complexes Stefanie A. Cantalupo, Helen E. Ferreira, Eman Bataineh, Annie J. King, Montana V. Petersen, Teresa Wojtasiewicz, Antonio G. DiPasquale, Arnold L. Rheingold, and Linda H. Doerrer pp 6584–6596 DOI: 10.1021/ic2003782 Supporting Info

Relationship between the Thermally Induced Reorientations of Aromatic Solvate Molecules in Cu(hfac)2–Nitroxide Breathing Crystals and the Character of the Magnetic Anomaly Galina V. Romanenko, Ksenia Yu. Maryunina, Artem S. Bogomyakov, Renad Z. Sagdeev, and Victor I. Ovcharenko pp 6597–6609 DOI: 10.1021/ic200444e Supporting Info

Geometric and Electrostatic Study of the [4Fe-4S] Cluster of Adenosine-5′-Phosphosulfate Reductase from Broken Symmetry Density Functional Calculations and Extended X-ray Absorption Fine Structure Spectroscopy Devayani P. Bhave, Wen-Ge Han, Samuel Pazicni, James E. Penner-Hahn, Kate S. Carroll, and Louis Noodleman pp 6610–6625 DOI: 10.1021/ic200446c Supporting Info

Investigation Relevant to the Conformation of the 17-Membered Pt(d(GpG)) Macrocyclic Ring Formed by Pt Anticancer Drugs with DNA: Pt Complexes with a Goldilocks Carrier Ligand Vidhi Maheshwari, Patricia A. Marzilli, and Luigi G. Marzilli pp 6626–6636 DOI: 10.1021/ic200512m Supporting Info

Theoretical Study of the Mechanism of Oxoiron(IV) Formation from H2O2 and a Nonheme Iron(II) Complex: O–O Cleavage Involving Proton-Coupled Electron Transfer Hajime Hirao, Feifei Li, Lawrence Que, Jr., and Keiji Morokuma pp 6637–6648 DOI: 10.1021/ic200522r Supporting Info

(Li/Ag)CoO2: A New Intergrowth Cobalt Oxide Composed of Rock Salt and Delafossite Layers R. Berthelot, M. Pollet, J.-P. Doumerc, and C. Delmas pp 6649–6655 DOI: 10.1021/ic200534x

Pentavalent and Tetravalent Uranium Selenides, Tl3Cu4USe6 and Tl2Ag2USe4: Syntheses, Characterization, and Structural Comparison to Other Layered Actinide Chalcogenide Compounds Daniel E. Bugaris, Eun Sang Choi, Roy Copping, Per-Anders Glans, Stefan G. Minasian, Tolek Tyliszczak, Stosh A. Kozimor, David K. Shuh, and James A. Ibers pp 6656–6666 DOI: 10.1021/ic200565n Supporting Info

Structural Study of a Series of Layered Rare-Earth Hydroxide Sulfates Fengxia Geng, Renzhi Ma, Yoshitaka Matsushita, Jianbo Liang, Yuichi Michiue, and Takayoshi Sasaki pp 6667–6672 DOI: 10.1021/ic200578r Supporting Info

Coordination Polymers of Hexacyanotrimethylenecyclopropanediide and Its Monoanionic Radical: Synthesis, Structure, and Magnetic Properties Anna M. Kutasi, David R. Turner, Paul Jensen, Boujemaa Moubaraki, Stuart R. Batten, and Keith S. Murray pp 6673–6684 DOI: 10.1021/ic200591u Supporting Info

Coordination of 1,10-Phenanthroline and 2,2′-Bipyridine to Li+ in Different Ionic Liquids. How Innocent Are Ionic Liquids? Matthias Schmeisser, Frank W. Heinemann, Peter Illner, Ralph Puchta, Achim Zahl, and Rudi van Eldik pp 6685–6695 DOI: 10.1021/ic200594e Supporting Info

Low-Temperature Solvothermal Approach to the Synthesis of La4Ni3O8 by Topotactic Oxygen Deintercalation Colin K. Blakely, Shaun R. Bruno, and Viktor V. Poltavets pp 6696–6700 DOI: 10.1021/ic200677p

Macrobicyclic Cage Amine Ligands for Copper Radiopharmaceuticals: A Single Bivalent Cage Amine Containing Two Lys3-bombesin Targeting Peptides Michelle T. Ma, Margaret S. Cooper, Rowena L. Paul, Karen P. Shaw, John A. Karas, Denis Scanlon, Jonathan M. White, Philip J. Blower, and Paul S. Donnelly pp 6701–6710 DOI: 10.1021/ic200681s

Hydrogen-Bonded Assemblies of Two-Electron Reduced Mixed-Valence [XMo12O40] (X = P and Si) with p-Phenylenediamines Tomoyuki Akutagawa, Fumito Kudo, Ryo Tsunashima, Shin-ichiro Noro, Leroy Cronin, and Takayoshi Nakamura pp 6711–6718 DOI: 10.1021/ic200683e Supporting Info

Protonated N-Confused Porphyrin Dimer: Formation, Structure, and Guest Binding Piotr J. Chmielewski, Marta Siczek, and Ludmiła Szterenberg pp 6719–6736 DOI: 10.1021/ic200742d Supporting Info

Discrete Covalent Organic–Inorganic Hybrids: Terpyridine Functionalized Polyoxometalates Obtained by a Modular Strategy and Their Metal Complexation Marie-Pierre Santoni, Amlan K. Pal, Garry S. Hanan, Anna Proust, and Bernold Hasenknopf pp 6737–6745 DOI: 10.1021/ic200752v Supporting Info

Non-Innocent Ligand Behavior of a Bimetallic Ni Schiff-Base Complex Containing a Bridging Catecholate Tim J. Dunn, Caterina F. Ramogida, Curtis Simmonds, Alisa Paterson, Edwin W. Y. Wong, Linus Chiang, Yuichi Shimazaki, and Tim Storr pp 6746–6755 DOI: 10.1021/ic200785g Supporting Info

Probing into Interesting Effects of Fractal Ge Nanoclusters Induced by Pd Nanoparticles Zhiwen Chen, Quanbao Li, Jian Wang, Dengyu Pan, Zheng Jiao, Minghong Wu, Chan-Hung Shek, C. M. Lawrence Wu, and Joseph K. L. Lai pp 6756–6761 DOI: 10.1021/ic200787t

Bixbyite-Type V2O3—A Metastable Polymorph of Vanadium Sesquioxide D. Weber, A. Stork, S. Nakhal, C. Wessel, C. Reimann, W. Hermes, A. Müller, T. Ressler, R. Pöttgen, T. Bredow, R. Dronskowski, and M. Lerch pp 6762–6766 DOI: 10.1021/ic200799n

Kβ X-ray Emission Spectroscopy Offers Unique Chemical Bonding Insights: Revisiting the Electronic Structure of Ferrocene Kyle M. Lancaster, Kenneth D. Finkelstein, and Serena DeBeer pp 6767–6774 DOI: 10.1021/ic200822b

Ring-Opening Polymerization of Cyclic Esters and Trimethylene Carbonate Catalyzed by Aluminum Half-Salen Complexes Donald J. Darensbourg, Osit Karroonnirun, and Stephanie J. Wilson pp 6775–6787 DOI: 10.1021/ic2008057 Supporting Info

Synthesis and Characterization of a Stable Bismuth(III) A3–Corrole Lorenz Michael Reith, Martin Stiftinger, Uwe Monkowius, Günther Knör, and Wolfgang Schoefberger pp 6788–6797 DOI: 10.1021/ic200840m Supporting Info

Molecular Nitrides with Titanium and Rare-Earth Metals Jorge Caballo, María García-Castro, Avelino Martín, Miguel Mena, Adrián Pérez-Redondo, and Carlos Yélamos pp 6798–6808 DOI: 10.1021/ic2008683 Supporting Info

Hydrothermal Synthesis and Crystal Structures of Two Novel Acentric Mixed Alkaline Earth Metal Berylloborates Sr3Be2B5O12(OH) and Ba3Be2B5O12(OH) Colin D. McMillen and Joseph W. Kolis pp 6809–6813 DOI: 10.1021/ic2008705 Supporting Info

Triply Bonded Stannaacetylene (RC≡SnR): Theoretical Designs and Characterization Po-Chao Wu and Ming-Der Su pp 6814–6822 DOI: 10.1021/ic200930v Supporting Info

Azadibenzophospholes: Functional Building Blocks with Pronounced Electron-Acceptor Character Stefan Durben and Thomas Baumgartner pp 6823–6836 DOI: 10.1021/ic200951x Supporting Info

Electronic Perturbations of Iron Dipyrrinato Complexes via Ligand β-Halogenation and meso-Fluoroarylation Austin B. Scharf and Theodore A. Betley pp 6837–6845 DOI: 10.1021/ic2009539 Supporting Info

Issue 15

Electronic Communication between Two Amine Redox Centers Bridged by a Bis(terpyridine)ruthenium(II) Complex Chang-Jiang Yao, Jiannian Yao, and Yu-Wu Zhong pp 6847–6849 DOI: 10.1021/ic200701j Supporting Info

A 3D CuII Coordination Framework with μ4-/μ2-Oxalato Anions and a Bent Dipyridyl Coligand: Unique Zeolite-Type NiP2 Topological Network and Magnetic Properties Miao Du, Zhi-Hui Zhang, Cheng-Peng Li, Jordi Ribas-Ariño, Núria Aliaga-Alcalde, and Joan Ribas pp 6850–6852 DOI: 10.1021/ic200711e Supporting Info

Postsynthetic Modification of a Metal–Organic Framework for Stabilization of a Hemiaminal and Ammonia Uptake William Morris, Christian J. Doonan, and Omar M. Yaghi pp 6853–6855 DOI: 10.1021/ic200744y Supporting Info

Expanding Family of π-Conjugated Trinuclear Dithiolenes: The Cases of Group 8 (RuII) and 10 (NiII and PtII) Metals Tetsuya Kambe, Satoru Tsukada, Ryota Sakamoto, and Hiroshi Nishihara pp 6856–6858 DOI: 10.1021/ic200766p Supporting Info

Mutation in the Flavin Mononucleotide Domain Modulates Magnetic Circular Dichroism Spectra of the iNOS Ferric Cyano Complex in a Substrate-Specific Manner Joseph Sempombe, Mary Grace I. Galinato, Bradley O. Elmore, Weihong Fan, J. Guy Guillemette, Nicolai Lehnert, Martin L. Kirk, and Changjian Feng pp 6859–6861 DOI: 10.1021/ic200952c Supporting Info

A Mild Liquid Reduction Route toward Uniform Blue-Emitting EuCl2 Nanoprisms and Nanorods Weili Jiang, Zuqiang Bian, Chenming Hong, and Chunhui Huang pp 6862–6864 DOI: 10.1021/ic200993w Supporting Info

Exploring the Reactions of β-Amyloid (Aβ) Peptide 1–28 with AlIII and FeIII Ions Daniela Valensin, Caterina Migliorini, Gianni Valensin, Elena Gaggelli, Giovanni La Penna, Henryk Kozlowski, Chiara Gabbiani, and Luigi Messori pp 6865–6867 DOI: 10.1021/ic201069v Supporting Info

Synthesis, Structure, and Magnetic Properties of Three 1D Chain Complexes Based on High-Spin Metal–Cyanide Clusters: [MnIII6MIII] (M = Cr, Fe, Co) Hong-Bo Zhou, Jun Wang, Hui-Sheng Wang, Yong-Lu Xu, Xiao-Jiao Song, You Song, and Xiao-Zeng You pp 6868–6877 DOI: 10.1021/ic102527h Supporting Info

Ligand Influence over the Formation of Dinuclear [2+2] versus Trinuclear [3+3] CuI Schiff Base Macrocyclic Complexes Arnau Arbuse, Sukanta Mandal, Somnath Maji, Ma Angeles Martínez, Xavier Fontrodona, Diana Utz, Frank W. Heinemann, Sandra Kisslinger, Siegfried Schindler, Xavier Sala, and Antoni Llobet pp 6878–6889 DOI: 10.1021/ic102185y Supporting Info

Cyano-bridged Homodinuclear Copper(II) Complexes Mihail Atanasov, Peter Comba, Graeme R. Hanson, Sascha Hausberg, Stefan Helmle, and Hubert Wadepohl pp 6890–6901 DOI: 10.1021/ic102430a Supporting Info

Controllable and Reversible Inversion of the Electronic Structure in Nickel N-Confused Porphyrin: A Case When MCD Matters Saovalak Sripothongnak, Christopher J. Ziegler, Michael R. Dahlby, and Victor N. Nemykin pp 6902–6909 DOI: 10.1021/ic102255k Supporting Info

Influence of the Electronic Characteristics of N-Donor Ligands in the Excited State of Heteronuclear Gold(I)–Copper(I) Systems José M. López-de-Luzuriaga, Miguel Monge, M. Elena Olmos, David Pascual, and María Rodríguez-Castillo pp 6910–6921 DOI: 10.1021/ic102550z Supporting Info

Redox Potentials of Oxoiron(IV) Porphyrin π-Cation Radical Complexes: Participation of Electron Transfer Process in Oxygenation Reactions Akihiro Takahashi, Takuya Kurahashi, and Hiroshi Fujii pp 6922–6928 DOI: 10.1021/ic102564e Supporting Info

Anticancer Activity, Attenuation on the Absorption of Calcium in Mitochondria, and Catalase Activity for Manganese Complexes of N-Substituted Di(picolyl)amine Dong-Fang Zhou, Qiu-Yun Chen, Yan Qi, Hai-Jian Fu, Zan Li, Kai-Di Zhao, and Jing Gao pp 6929–6937 DOI: 10.1021/ic200004y Supporting Info

Solution Synthesis of Nanoparticular Binary Transition Metal Antimonides Gregor Kieslich, Christina S. Birkel, Andrew Stewart, Ute Kolb, and Wolfgang Tremel pp 6938–6943 DOI: 10.1021/ic200074z Supporting Info

Visualizing Diastereomeric Interactions of Chiral Amine–Chiral Copper Salen Adducts by EPR Spectroscopy and DFT Damien M. Murphy, Ignacio Caretti, Emma Carter, Ian A. Fallis, Marcus C. Göbel, James Landon, Sabine Van Doorslaer, and David J. Willock pp 6944–6955 DOI: 10.1021/ic200113u Supporting Info

Difference of Coordination between Alkali- and Alkaline-Earth-Metal Ions to a Symmetrical α,α′,δ,δ′-Tetramethylcucurbit[6]uril Wen-Jian Chen, Da-Hai Yu, Xin Xiao, Yun-Qian Zhang, Qian-Jiang Zhu, Sai-Feng Xue, Zhu Tao, and Gang Wei pp 6956–6964 DOI: 10.1021/ic200109s Supporting Info

Which One among the Pt-Containing Anticancer Drugs More Easily Forms Monoadducts with G and A DNA Bases? A Comparative Study among Oxaliplatin, Nedaplatin, and Carboplatin Marta E. Alberto, Valeria Butera, and Nino Russo pp 6965–6971 DOI: 10.1021/ic200148n Supporting Info

Indium–Sulfur Supertetrahedral Polymers Integrated with [M(phen)3]2+ Cations (M = Ni and Fe) Xu Zhang, Wen Luo, Ya-Ping Zhang, Jian-Bing Jiang, Qin-Yu Zhu, and Jie Dai pp 6972–6978 DOI: 10.1021/ic200157v Supporting Info

Probing Stepwise Reaction of NNP–Ligand Copper(I) Complex with Elemental Sulfur by Using N-Heterocyclic Carbene as a Trapper Gengwen Tan and Hongping Zhu pp 6979–6986 DOI: 10.1021/ic200008z Supporting Info

A Theoretical Study on the Enhancement of Functionally Relevant Electron Transfers in Biomimetic Models of [FeFe]-Hydrogenases Claudio Greco and Luca De Gioia pp 6987–6995 DOI: 10.1021/ic200297d Supporting Info

First-Principles Study of Lattice Dynamics and Thermodynamics of TiO2 Polymorphs Zhi-Gang Mei, Yi Wang, Shun-Li Shang, and Zi-Kui Liu pp 6996–7003 DOI: 10.1021/ic200349p

Utilizing the Adaptive Polyoxometalate [As2W19O67(H2O)]14– To Support a Polynuclear Lanthanoid-Based Single-Molecule Magnet Chris Ritchie, Manfred Speldrich, Robert W. Gable, Lorenzo Sorace, Paul Kögerler, and Colette Boskovic pp 7004–7014 DOI: 10.1021/ic200366a Supporting Info

‘Old’ Clusters with New Function: Oxidation Catalysis by High Oxidation State Manganese and Cerium/Manganese Clusters Using O2 Gas Galia Maayan and George Christou pp 7015–7021 DOI: 10.1021/ic200393y Supporting Info

Synthesis, Molecular and Electronic Structures of Six-Coordinate Transition Metal (Mn, Fe, Co, Ni, Cu, and Zn) Complexes with Redox-Active 9-Hydroxyphenoxazin-1-one Ligands Eugeny P. Ivakhnenko, Andrey G. Starikov, Vladimir I. Minkin, Konstantin A. Lyssenko, Mikhail Yu. Antipin, Vladimir I. Simakov, Mikhail S. Korobov, Gennady S. Borodkin, and Pavel A. Knyazev pp 7022–7032 DOI: 10.1021/ic2004062 Supporting Info

Relativistic Effects and Gold Site Distributions: Synthesis, Structure, and Bonding in a Polar Intermetallic Na6Cd16Au7 Saroj L. Samal and John D. Corbett pp 7033–7039 DOI: 10.1021/ic200501h Supporting Info

Reductive Approach to Mixed Valency (n = 1−) in the Pyrazine Ligand-Bridged [(acac)2Ru(μ-L2–)Ru(acac)2]n (L2– = 2,5-Pyrazine-dicarboxylate) through Experiment and Theory Amit Das, Thomas Scherer, Somnath Maji, Tapan Kumar Mondal, Shaikh M. Mobin, Francisco A. Urbanos, Reyes Jiménez-Aparicio, Wolfgang Kaim, and Goutam Kumar Lahiri pp 7040–7049 DOI: 10.1021/ic200530u Supporting Info

Calix[4]arene-Based 1,3-Diconjugate of Salicylyl Imine Having Dibenzyl Amine Moiety (L): Synthesis, Characterization, Receptor Properties toward Fe2+, Cu2+, and Zn2+, Crystal Structures of Its Zn2+ and Cu2+ Complexes, and Selective Phosphate Sensing by the [ZnL] Roymon Joseph, Jugun Prakash Chinta, and Chebrolu P. Rao pp 7050–7058 DOI: 10.1021/ic200544a Supporting Info

Planar Tetranuclear Dy(III) Single-Molecule Magnet and Its Sm(III), Gd(III), and Tb(III) Analogues Encapsulated by Salen-Type and β-Diketonate Ligands Peng-Fei Yan, Po-Heng Lin, Fatemah Habib, Tomoko Aharen, Muralee Murugesu, Zhao-Peng Deng, Guang-Ming Li, and Wen-Bin Sun pp 7059–7065 DOI: 10.1021/ic200566y Supporting Info

A Highly Selective Redox, Chromogenic, and Fluorescent Chemosensor for Hg2+ in Aqueous Solution Based on Ferrocene–Glycine Bioconjugates Arunabha Thakur, Sinjinee Sardar, and Sundargopal Ghosh pp 7066–7073 DOI: 10.1021/ic200573m Supporting Info

Electronic Coupling between Two Cyclometalated Ruthenium Centers Bridged by 1,3,6,8-Tetrakis(1-butyl-1H-1,2,3-triazol-4-yl)pyrene Lei Wang, Wen-Wen Yang, Ren-Hui Zheng, Qiang Shi, Yu-Wu Zhong, and Jiannian Yao pp 7074–7079 DOI: 10.1021/ic2005776 Supporting Info

Structure and Bonding Energy Analysis of Cationic Metal–Ylyne Complexes of Molybdenum and Tungsten, [(MeCN)(PMe3)4M≡EMes]+ (M = Mo, W; E = Si, Ge, Sn, Pb): A Theoretical Study Krishna K. Pandey, Pankaj Patidar, and Philip P. Power pp 7080–7089 DOI: 10.1021/ic2005908 Supporting Info

Oxidation State Analysis of a Four-Component Redox Series [Os(pap)2(Q)]n Involving Two Different Non-Innocent Ligands on a Redox-Active Transition Metal Dipanwita Das, Biprajit Sarkar, Tapan Kumar Mondal, Shaikh M. Mobin, Jan Fiedler, Wolfgang Kaim, and Goutam Kumar Lahiri pp 7090–7098 DOI: 10.1021/ic200615s Supporting Info

Matrix Infrared Spectroscopic and Theoretical Investigations of Uranium Atom and Methanol Reaction Products Yu Gong and Lester Andrews pp 7099–7105 DOI: 10.1021/ic200618x

Monoanionic Molybdenum and Tungsten Tris(dithiolene) Complexes: A Multifrequency EPR Study Stephen Sproules, Priyabrata Banerjee, Thomas Weyhermüller, Yong Yan, James P. Donahue, and Karl Wieghardt pp 7106–7122 DOI: 10.1021/ic2006265 Supporting Info

Structural Models of the [Fe4S4] Clusters of Homologous Nitrogenase Fe Proteins Michael A. Blank, Chi Chung Lee, Yilin Hu, Keith O. Hodgson, Britt Hedman, and Markus W. Ribbe pp 7123–7128 DOI: 10.1021/ic200636k

Low Temperature Neutron Diffraction Studies in [Mn3(suc)2(ina)2]n: An Homometallic Molecular 3D Ferrimagnet Oscar Fabelo, Laura Cañadillas-Delgado, Inés Puente Orench, J. Alberto Rodríguez-Velamazán, Javier Campo, and Juan Rodríguez-Carvajal pp 7129–7135 DOI: 10.1021/ic200655y Supporting Info

Structural Percolation in the PbM1–xMx′O3 (M, M′ =Ti, Cr, and V) Perovskites Ángel M. Arévalo-López and Miguel Á. Alario-Franco pp 7136–7141 DOI: 10.1021/ic200680u Supporting Info

Semirigid Aromatic Sulfone–Carboxylate Molecule for Dynamic Coordination Networks: Multiple Substitutions of the Ancillary Ligands Xiao-Ping Zhou, Zhengtao Xu, Matthias Zeller, Allen D. Hunter, Stephen Sin-Yin Chui, and Chi-Ming Che pp 7142–7149 DOI: 10.1021/ic2007292 Supporting Info

Stability and Structural Evolution of CeIV1–xLnIIIxO2–x/2 Solid Solutions: A Coupled μ-Raman/XRD Approach D. Horlait, L. Claparède, N. Clavier, S. Szenknect, N. Dacheux, J. Ravaux, and R. Podor pp 7150–7161 DOI: 10.1021/ic200751m Supporting Info

Mechanistic Insight into Olefin Epoxidation Catalyzed by Rhenium(V) Oxo Complexes That Contain Pyridazine-Based Ligands Katrin R. Grünwald, Gerald Saischek, Manuel Volpe, and Nadia C. Mösch-Zanetti pp 7162–7171 DOI: 10.1021/ic200756r Supporting Info

Synthesis and Characterization of Neutral Luminescent Diphosphine Pyrrole- and Indole-Aldimine Copper(I) Complexes Marco G. Crestani, Gerald F. Manbeck, William W. Brennessel, Theresa M. McCormick, and Richard Eisenberg pp 7172–7188 DOI: 10.1021/ic2007588 Supporting Info

Synthesis of Pd3Tl and Pd6Tl2 Complexes Based on a Trinuclear Aryl–Palladium(II) Complex Acting as a Metallaligand Toward Thallium(I) Through Tl–Arene and Tl–I Bonds José Vicente, Rashmi V. Shenoy, Eloísa Martínez-Viviente, and Peter G. Jones pp 7189–7194 DOI: 10.1021/ic2007793 Supporting Info

Solvothermal Synthesis and Characterization of Polyselenidoarsenate Salts of Transition Metal Complex Cations Dingxian Jia, Jing Zhao, Yingli Pan, Weiwei Tang, Bing Wu, and Yong Zhang pp 7195–7201 DOI: 10.1021/ic2007809 Supporting Info

Exploring the Binding Ability of Polyammonium Hosts for Anionic Substrates: Selective Size-Dependent Recognition of Different Phosphate Anions by Bis-macrocyclic Receptors Carla Bazzicalupi, Andrea Bencini, Claudia Giorgi, Barbara Valtancoli, Vito Lippolis, and Alessandro Perra pp 7202–7216 DOI: 10.1021/ic2007815 Supporting Info

Iron Silylamide-Grafted Periodic Mesoporous Silica Thomas Deschner, Karl W. Törnroos, and Reiner Anwander pp 7217–7228 DOI: 10.1021/ic200788f Supporting Info

Photophysical Properties of Charged Cyclometalated Ir(III) Complexes: A Joint Theoretical and Experimental Study Rubén D. Costa, Filippo Monti, Gianluca Accorsi, Andrea Barbieri, Henk J. Bolink, Enrique Ortí, and Nicola Armaroli pp 7229–7238 DOI: 10.1021/ic200820t

Copper(I) Thiocyanate-Amine Networks: Synthesis, Structure, and Luminescence Behavior. Kayla M. Miller, Shannon M. McCullough, Elena A. Lepekhina, Isabelle J. Thibau, and Robert D. Pike , Xiaobo Li, James P. Killarney, and Howard H. Patterson pp 7239–7249 DOI: 10.1021/ic200821f Supporting Info

Suppression of Magnetic Order in Sr3Fe2O4Cl2 by Fe-Site Substitution by Cobalt Edward Dixon and Michael A. Hayward pp 7250–7256 DOI: 10.1021/ic200832n Supporting Info

Magnetic Exchange Interactions and Magneto-Structural Correlations in Heterobridged μ-Phenoxo-μ1,1-Azide Dinickel(II) Compounds: A Combined Experimental and Theoretical Exploration Sujit Sasmal, Susanta Hazra, Parimal Kundu, Supriya Dutta, Gopalan Rajaraman, E. Carolina Sañudo, and Sasankasekhar Mohanta pp 7257–7267 DOI: 10.1021/ic200833y Supporting Info

Strategy for the Rational Design of Asymmetric Triply Bridged Dinuclear 3d-4f Single-Molecule Magnets. Enrique Colacio, José Ruiz-Sanchez, Fraser J. White, and Euan K. Brechin pp 7268–7273 DOI: 10.1021/ic2008599 Supporting Info

Microwave versus Traditional Solvothermal Synthesis of Ni7II Discs: Effect of Ligand on Exchange Reaction in Solution Studied by Electrospray Ionization-Mass Spectroscopy and Magnetic Properties Lian-Qiang Wei, Kun Zhang, Ying-Chun Feng, Yun-Hong Wang, Ming-Hua Zeng, and Mohamedally Kurmoo pp 7274–7283 DOI: 10.1021/ic200883b Supporting Info

Synthesis, Structures, and Magnetism of Copper(II) and Manganese(II) Coordination Polymers with Azide and Pyridylbenzoates Xiu-Mei Zhang, Yan-Qin Wang, You Song, and En-Qing Gao pp 7284–7294 DOI: 10.1021/ic2008842 Supporting Info

Homoleptic Tetranuclear Complexes of Divalent Tin and Lead Tetraolates Zheng Wei, Jen-Hsien Yang, Volodimir D. Vreshch, Alexander V. Zabula, Alexander S. Filatov, and Evgeny V. Dikarev pp 7295–7300 DOI: 10.1021/ic200890h Supporting Info

A Versatile Solvent-Free Mechanochemical Route to the Synthesis of Heterometallic Dicyanoaurate-Based Coordination Polymers Csaba Jobbágy, Tünde Tunyogi, Gábor Pálinkás, and Andrea Deák pp 7301–7308 DOI: 10.1021/ic200893n Supporting Info

Coordination Properties of 2,5-Dimesitylpyridine: An Encumbering and Versatile Ligand for Transition-Metal Chemistry Julia M. Stauber, Andrew L. Wadler, Curtis E. Moore, Arnold L. Rheingold, and Joshua S. Figueroa pp 7309–7316 DOI: 10.1021/ic201205p Supporting Info

FTIR Matrix-Isolation Study of the Reaction Products of Vanadium Atoms with Propene: Observation of Allylvanadium Hydride As a Precursor to Sacrificial Hydrogenation of Propene Matthew G. K. Thompson, Stephen W. C. Walker, and J. Mark Parnis pp 7317–7323 DOI: 10.1021/ic200934r Supporting Info

Spin Canting and Metamagnetism in 2D and 3D Cobalt(II) Coordination Networks with Alternating Double End-On and Double End-to-End Azido Bridges Jaursup Boonmak, Motohiro Nakano, Narongsak Chaichit, Chaveng Pakawatchai, and Sujittra Youngme pp 7324–7333 DOI: 10.1021/ic201035c Supporting Info

π-Extended and Six-Coordinate Iron(II) Complexes: Structures, Magnetic Properties, and the Electrochemical Synthesis of a Conducting Iron(II) Metallopolymer Brandon Djukic, Takele Seda, Serge I. Gorelsky, Alan J. Lough, and Martin T. Lemaire pp 7334–7343 DOI: 10.1021/ic2010503 Supporting Info

Dihydrogen Activation by Frustrated Carbene-Borane Lewis Pairs: An Experimental and Theoretical Study of Carbene Variation Sabrina Kronig, Eileen Theuergarten, Dirk Holschumacher, Thomas Bannenberg, Constantin G. Daniliuc, Peter G. Jones, and Matthias Tamm pp 7344–7359 DOI: 10.1021/ic201290g Supporting Info

Issue 16

Density Functional Theory Modeling of the Proposed Nitrite Anhydrase Function of Hemoglobin in Hypoxia Sensing Timothy C. Berto and Nicolai Lehnert pp 7361–7363 DOI: 10.1021/ic2003854 Supporting Info

New Iron(III) Bis(acetylide) Compounds Based on the Iron Cyclam Motif Zhi Cao, William P. Forrest, Yang Gao, Phillip E. Fanwick, Yang Zhang, and Tong Ren pp 7364–7366 DOI: 10.1021/ic200836v Supporting Info

Cationic Mn4 Single-Molecule Magnet with a Sterically Isolated Core Katie J. Heroux, Hajrah M. Quddusi, Junjie Liu, James R. O’Brien, Motohiro Nakano, Enrique del Barco, Stephen Hill, and David N. Hendrickson pp 7367–7369 DOI: 10.1021/ic201017r Supporting Info

Single-Molecule Magnetic Behavior in a Neutral Terbium(III) Complex of a Picolinate-Based Nitronyl Nitroxide Free Radical Eugenio Coronado, Carlos Giménez-Saiz, Alejandro Recuenco, Ana Tarazón, Francisco M. Romero, Agustín Camón, and Fernando Luis pp 7370–7372 DOI: 10.1021/ic2010425 Supporting Info

Benzoxazole-Based Heterometallic Dodecanuclear Complex [DyIII4CuII8] with Single-Molecule-Magnet Behavior Olga Iasco, Ghenadie Novitchi, Erwann Jeanneau, Wolfgang Wernsdorfer, and Dominique Luneau pp 7373–7375 DOI: 10.1021/ic201070n Supporting Info

Route for the Elaboration of Functionalized Hybrid 3d-Substituted Trivacant Keggin Anions Guillaume Rousseau, Olivier Oms, Anne Dolbecq, Jérôme Marrot, and Pierre Mialane pp 7376–7378 DOI: 10.1021/ic2011088 Supporting Info

Air Oxidation of HS– Catalyzed by An Mixed-Valence Diruthenium Complex, an Near-IR Probe for HS– Detection Yi-Ling Quek, Choon-Hong Tan, Jinsong Bian, and Dejian Huang pp 7379–7381 DOI: 10.1021/ic201212x Supporting Info

Mixed-Valence State of a Pyrazine-Bridged Dimer of Oxocarboxylatotriruthenium Complexes with a Nitrosyl Ligand Hiroyoshi Ohtsu, Naoya Fujiwara, and Tadashi Yamaguchi pp 7382–7384 DOI: 10.1021/ic201246m Supporting Info

Efficient Hydride and Pyrazolyl Redistribution upon Thermolysis of a Calcium Complex Containing Dihydrobis(pyrazolyl)borate Ligands Mark J. Saly, Jing Li, Mary Jane Heeg, and Charles H. Winter pp 7385–7387 DOI: 10.1021/ic2012815 Supporting Info

Metal–Organic Frameworks of Vanadium as Catalysts for Conversion of Methane to Acetic Acid Anh Phan, Alexander U. Czaja, Felipe Gándara, Carolyn B. Knobler, and Omar M. Yaghi pp 7388–7390 DOI: 10.1021/ic201396m Supporting Info

Tetra-2,3-pyrazinoporphyrazines with Externally Appended Pyridine Rings. 9. Novel Heterobimetallic Macrocycles and Related Hydrosoluble Hexacations as Potentially Active Photo/Chemotherapeutic Anticancer Agents Maria Pia Donzello, Daniela Vittori, Elisa Viola, Ilse Manet, Luisa Mannina, Luciano Cellai, Sandra Monti, and Claudio Ercolani pp 7391–7402 DOI: 10.1021/ic200498s

Tetra-2,3-pyrazinoporphyrazines with Externally Appended Pyridine Rings. 10. A Water-Soluble Bimetallic (ZnII/PtII) Porphyrazine Hexacation as Potential Plurimodal Agent for Cancer Therapy: Exploring the Behavior as Ligand of Telomeric DNA G-Quadruplex Structures Ilse Manet, Francesco Manoli, Maria Pia Donzello, Claudio Ercolani, Daniela Vittori, Luciano Cellai, Annalisa Masi, and Sandra Monti pp 7403–7411 DOI: 10.1021/ic200514z Supporting Info

Ratiometric Phosphorescence Imaging of Hg(II) in Living Cells Based on a Neutral Iridium(III) Complex Yongquan Wu, Hao Jing, Zesheng Dong, Qiang Zhao, Huazhou Wu, and Fuyou Li pp 7412–7420 DOI: 10.1021/ic102082k Supporting Info

Morphological Evolution of (NH4)0.5V2O5·mH2O Fibers into Belts, Triangles, and Rings Gujjarahalli Thimmanna Chandrappa, Pallellappa Chithaiah, Siddaramanna Ashoka, and Jacques Livage pp 7421–7428 DOI: 10.1021/ic2005858 Supporting Info

Metallacyclophanes of 1,6-Bis(diphenylphosphino)pyrene: Excimeric Emission and Effect of Oxygen on Stability of the Rings Jian Hu, Minh-Hai Nguyen, and John H. K. Yip pp 7429–7439 DOI: 10.1021/ic102441b Supporting Info

Experimental Study of Decomposition of Aqueous Nitrosyl Thiocyanate Mark S. Rayson, John C. Mackie, Eric M. Kennedy, and Bogdan Z. Dlugogorski pp 7440–7452 DOI: 10.1021/ic102445d Supporting Info

Synthesis and Characterization of Heterobimetallic Oxo-Bridged Aluminum–Rare Earth Metal Complexes Jingjun Hao, Jianfeng Li, Chunming Cui, and Herbert W. Roesky pp 7453–7459 DOI: 10.1021/ic2010584 Supporting Info

Detailed Ab Initio First-Principles Study of the Magnetic Anisotropy in a Family of Trigonal Pyramidal Iron(II) Pyrrolide Complexes Mihail Atanasov, Dmitry Ganyushin, Dimitrios A. Pantazis, Kantharuban Sivalingam, and Frank Neese pp 7460–7477 DOI: 10.1021/ic200196k Supporting Info

Pyridazine- versus Pyridine-Based Tridentate Ligands in First-Row Transition Metal Complexes Katrin R. Grünwald, Manuel Volpe, Pawel Cias, Georg Gescheidt, and Nadia C. Mösch-Zanetti pp 7478–7488 DOI: 10.1021/ic200279g Supporting Info

Complexation Abilities of Neuropeptide Gamma toward Copper(II) Ions and Products of Metal-Catalyzed Oxidation Marta Pietruszka, Elżbieta Jankowska, Teresa Kowalik-Jankowska, Zbigniew Szewczuk, and Maria Smużyńska pp 7489–7499 DOI: 10.1021/ic2002942 Supporting Info

Macrocyclic Complexes of Palladium(II) with Benzothiacrown Ethers: Synthesis, Characterization, and Structure of cis and trans Isomers Svetlana N. Dmitrieva, Natalia I. Sidorenko, Nikolay A. Kurchavov, Artem I. Vedernikov, Alexandra Ya. Freidzon, Lyudmila G. Kuz’mina, Aleksei K. Buryak, Tat’yana M. Buslaeva, Alexander A. Bagatur’yants, Yuri A. Strelenko, Judith A. K. Howard, and Sergey P. Gromov pp 7500–7510 DOI: 10.1021/ic2003063 Supporting Info

Reversible Capture of Small Molecules On Bimetallaborane Clusters: Synthesis, Structural Characterization, and Photophysical Aspects Jonathan Bould, Tomáš Baše, Michael G. S. Londesborough, Luis A. Oro, Ramón Macías, John D. Kennedy, Pavel Kubát, Marcel Fuciman, Tomáš Polívka, and Kamil Lang pp 7511–7523 DOI: 10.1021/ic200374k Supporting Info

Cooperative Double Deprotonation of Bis(2-picolyl)amine Leading to Unexpected Bimetallic Mixed Valence (M–I, MI) Rhodium and Iridium Complexes Cristina Tejel, M. Pilar del Río, Laura Asensio, Fieke J. van den Bruele, Miguel A. Ciriano, Nearchos Tsichlis i Spithas, Dennis G. H. Hetterscheid, and Bas de Bruin pp 7524–7534 DOI: 10.1021/ic200395m Supporting Info

Enantioselective Resolutions and Circular Dichroism Studies of Lanthanide-Containing Keggin-Type [Ln(PW11O39)2]11– Polyoxometalates Haruo Naruke, Jun Iijima, and Takanobu Sanji pp 7535–7539 DOI: 10.1021/ic200401g Supporting Info

Heterobridged Dinuclear, Tetranuclear, Dinuclear-Based 1-D, and Heptanuclear-Based 1-D Complexes of Copper(II) Derived from a Dinucleating Ligand: Syntheses, Structures, Magnetochemistry, Spectroscopy, and Catecholase Activity Samit Majumder, Sohini Sarkar, Sujit Sasmal, E. Carolina Sañudo, and Sasankasekhar Mohanta pp 7540–7554 DOI: 10.1021/ic200409d Supporting Info

Rational Construction of 3D Pillared Metal–Organic Frameworks: Synthesis, Structures, and Hydrogen Adsorption Properties Ze Chang, Da-Shuai Zhang, Qiang Chen, Rui-Fang Li, Tong-Liang Hu, and Xian-He Bu pp 7555–7562 DOI: 10.1021/ic2004485 Supporting Info

TSQ (6-Methoxy-8-p-Toluenesulfonamido-Quinoline), a Common Fluorescent Sensor for Cellular Zinc, Images Zinc Proteins Jeffrey W. Meeusen, Henry Tomasiewicz, Andrew Nowakowski, and David H. Petering pp 7563–7573 DOI: 10.1021/ic200478q Supporting Info

Carborane Complexes of Ruthenium(III): Studies on Thermal Reaction Chemistry and the Catalyst Design for Atom Transfer Radical Polymerization of Methyl Methacrylate Ivan D. Grishin, Dmitrii I. D’yachihin, Alexander V. Piskunov, Fedor M. Dolgushin, Alexander F. Smol’yakov, Mikhail M. Il’in, Vadim A. Davankov, Igor T. Chizhevsky, and Dmitry F. Grishin pp 7574–7585 DOI: 10.1021/ic200487w Supporting Info

Ultrafast Spectroscopy of a Photochromic Ruthenium Sulfoxide Complex Beth Anne McClure and Jeffrey J. Rack pp 7586–7590 DOI: 10.1021/ic200532p Supporting Info

Direct Determination of the Intracellular Oxidation State of Plutonium Drew Gorman-Lewis, Baikuntha P. Aryal, Tatjana Paunesku, Stefan Vogt, Barry Lai, Gayle E. Woloschak, and Mark P. Jensen pp 7591–7597 DOI: 10.1021/ic200588p Supporting Info

“Click” Synthesis of Heteroleptic Tris-Cyclometalated Iridium(III) Complexes: Cu(I) Triazolide Intermediates as Transmetalating Reagents Shuang Liu, Peter Müller, Michael K. Takase, and Timothy M. Swager pp 7598–7609 DOI: 10.1021/ic2005985 Supporting Info

Enantiomer Recognition of Amides by Dirhodium(II) Tetrakis[methyl 2-oxopyrrolidine-5(S)-carboxylate] Xichen Xu and Michael P. Doyle pp 7610–7617 DOI: 10.1021/ic200609u Supporting Info

Formation of Zn(II) and Cd(II) Coordination Polymers Assembled by Triazine-Based Polycarboxylate and in-Situ-Generated Pyridine-4-thiolate or Dipyridylsulfide Ligands: Observation of an Unusual Luminescence Thermochromism Qilong Zhu, Tianlu Sheng, Chunhong Tan, Shengmin Hu, Ruibiao Fu, and Xintao Wu pp 7618–7624 DOI: 10.1021/ic200640g Supporting Info

Revisiting the Zintl–Klemm Concept: Alkali Metal Trielides Fei Wang and Gordon J. Miller pp 7625–7636 DOI: 10.1021/ic200643f Supporting Info

Metal Ion-Controlled Self-Assembly Using Pyrimidine Hydrazone Molecular Strands with Terminal Hydroxymethyl Groups: A Comparison of Pb(II) and Zn(II) Complexes Daniel J. Hutchinson, Lyall R. Hanton, and Stephen C. Moratti pp 7637–7649 DOI: 10.1021/ic200670w Supporting Info

Group 6 Complexes with Iron and Zinc Heterometals: Understanding the Structural, Spectroscopic, and Electrochemical Properties of a Complete Series of MM···M′ Compounds Michael Nippe, Eckhard Bill, and John F. Berry pp 7650–7661 DOI: 10.1021/ic2011315 Supporting Info

Synthesis, Structure, and Magnetic Properties of the NaCoXO4F·2H2O Phases Where X = S and Se B. C. Melot, J-N. Chotard, G. Rousse, M. Ati, M. Reynaud, and J-M. Tarascon pp 7662–7668 DOI: 10.1021/ic200700r Supporting Info

Crystal Structure of Novel Ni–Zn Borides: First Observation of a Boron–Metal Nested Cage Unit: B20Ni6 Zahida P. Malik, Oksana Sologub, Andriy Grytsiv, Gerald Giester, and Peter F. Rogl pp 7669–7675 DOI: 10.1021/ic2007167 Supporting Info

Synthesis of 17O-Labeled Cs2WO4 and Its Ambient- and Low-Temperature Solid-State 17O MAS NMR Spectra Hans J. Jakobsen, Henrik Bildsøe, Jørgen Skibsted, Michael Brorson, Ivan Hung, and Zhehong Gan pp 7676–7684 DOI: 10.1021/ic200722a

Low-Temperature Vacuum Reduction of BiMnO3 Alexei A. Belik, Yoshitaka Matsushita, Masahiko Tanaka, and Eiji Takayama-Muromachi pp 7685–7689 DOI: 10.1021/ic2007233 Supporting Info

En Route to Osmium Analogues of KP1019: Synthesis, Structure, Spectroscopic Properties and Antiproliferative Activity of trans-[OsIVCl4(Hazole)2] Gabriel E. Büchel, Iryna N. Stepanenko, Michaela Hejl, Michael A. Jakupec, Bernhard K. Keppler, and Vladimir B. Arion pp 7690–7697 DOI: 10.1021/ic200728b Supporting Info

Synthesis and Structural Characterization of Alkaline-Earth-Metal Bis(amido)silane and Lithium Oxobis(aminolato)silane Complexes Dongming Yang, Yuqiang Ding, Haishun Wu, and Wenjun Zheng pp 7698–7706 DOI: 10.1021/ic200748z Supporting Info

Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure Curtis M. Zaleski, Choong-Sun Lim, Annabel D. Cutland-Van Noord, Jeff W. Kampf, and Vincent L. Pecoraro pp 7707–7717 DOI: 10.1021/ic200740h Supporting Info

Bis(phosphinic)diamido Yttrium Amide, Alkoxide, and Aryloxide Complexes: An Evaluation of Lactide Ring-Opening Polymerization Initiator Efficiency Rachel H. Platel, Andrew J. P. White, and Charlotte K. Williams pp 7718–7728 DOI: 10.1021/ic200773x Supporting Info

Single-Crystal Bi2S3 Nanosheets Growing via Attachment–Recrystallization of Nanorods Hua Zhang, Jing Huang, Xinggui Zhou, and Xinhua Zhong pp 7729–7734 DOI: 10.1021/ic201332n Supporting Info

Stepwise Construction of Manganese–Chromium Carbonyl Chalcogenide Complexes: Synthesis, Electrochemical Properties, and Computational Studies Minghuey Shieh, Chia-Yeh Miu, Kuo-Chih Huang, Chung-Feng Lee, and Bao-Gun Chen pp 7735–7748 DOI: 10.1021/ic200885h Supporting Info

Constructing a Blue Light Photodetector on Inorganic/Organic p–n Heterojunction Nanowire Arrays Haowei Lin, Huibiao Liu, Xuemin Qian, Siu-Wai Lai, Yongjun Li, Nan Chen, Canbin Ouyang, Chi-Ming Che, and Yuliang Li pp 7749–7753 DOI: 10.1021/ic200900a Supporting Info

Novel Supramolecular Assemblies Based on Coordination of Samarium Cation to Cucurbit[5]uril Kai Chen, Li−Li Liang, Yun-Qian Zhang, Qian-Jiang Zhu, Sai-Feng Xue, and Zhu Tao pp 7754–7760 DOI: 10.1021/ic200902g Supporting Info

Elaboration of Covalently Linked Polyoxometalates with Ruthenium and Pyrene Chromophores and Characteriation of Their Photophysical Properties Benjamin Matt, Christophe Coudret, Christine Viala, Damien Jouvenot, Frédérique Loiseau, Guillaume Izzet, and Anna Proust pp 7761–7768 DOI: 10.1021/ic200906b Supporting Info

Direct Evidence for Tautomerization of the Uracil Moiety within the Pb2+/Uridine-5′-monophosphate Complex: A Combined Tandem Mass Spectrometry and IRMPD study Jean-Yves Salpin, Sébastien Guillaumont, Daniel Ortiz, Jeanine Tortajada, and Philippe Maître pp 7769–7778 DOI: 10.1021/ic200918q Supporting Info

Local and Average Structures and Magnetic Properties of Sr2FeMnO5+y, y = 0.0, 0.5. Comparisons with Ca2FeMnO5 and the Effect of the A-Site Cation Farshid Ramezanipour, John E. Greedan, Joan Siewenie, Th. Proffen, Dominic H. Ryan, Andrew P. Grosvenor, and Ronald L. Donaberger pp 7779–7791 DOI: 10.1021/ic200919m

The High-Temperature Polymorphs of K3AlF6 Graham King, Artem M. Abakumov, Patrick M. Woodward, Anna Llobet, Alexander A. Tsirlin, Dmitry Batuk, and Evgeny V. Antipov pp 7792–7801 DOI: 10.1021/ic200956a Supporting Info

Synthesis and Characterization of Crystalline Structures Based on Phenylboronate Ligands Bound to Alkaline Earth Cations Marc Reinholdt, Jonas Croissant, Lidia Di Carlo, Dominique Granier, Philippe Gaveau, Sylvie Bégu, Jean-Marie Devoisselle, P. Hubert Mutin, Mark E. Smith, Christian Bonhomme, Christel Gervais, Arie van der Lee, and Danielle Laurencin pp 7802–7810 DOI: 10.1021/ic200961a Supporting Info

Combined Theoretical and Mass Spectrometry Study of the Formation-Fragmentation of Small Polyoxomolybdates Laia Vilà-Nadal, Elizabeth F. Wilson, Haralampos N. Miras, Antonio Rodríguez-Fortea, Leroy Cronin, and Josep M. Poblet pp 7811–7819 DOI: 10.1021/ic200969h Supporting Info

Bidirectional “Ping-Pong” Energy Transfer and 3000-Fold Lifetime Enhancement in a Re(I) Charge Transfer Complex James E. Yarnell, Joseph C. Deaton, Catherine E. McCusker, and Felix N. Castellano pp 7820–7830 DOI: 10.1021/ic200974h Supporting Info

Crystal Structure and Physical Properties of the New Chalcogenides Ba3Cu17–x(S,Te)11 and Ba3Cu17–x(S,Te)11.5 with Two Different Cu Clusters Bryan A. Kuropatwa, Abdeljalil Assoud, and Holger Kleinke pp 7831–7837 DOI: 10.1021/ic200984q Supporting Info

Vanadium-Based Pro-Catalysts Bearing Depleted 1,3-Calix[4]arenes for Ethylene or ε-Caprolactone Polymerization Lucy Clowes, Carl Redshaw, and David L. Hughes pp 7838–7845 DOI: 10.1021/ic2010198 Supporting Info

Tunable Full-Color Emitting BaMg2Al6Si9O30:Eu2+, Tb3+, Mn2+ Phosphors Based on Energy Transfer Wei Lü, Zhendong Hao, Xia Zhang, Yongshi Luo, Xiaojun Wang, and Jiahua Zhang pp 7846–7851 DOI: 10.1021/ic201033e

Palladacycle-Promoted Solvolytic Cleavage of O,O-Dimethyl O-Aryl Phosphorothioates. Converting a Phosphorane-Like Transition State to an Observable Intermediate C. Tony Liu, Alexei A. Neverov, and R. Stan Brown pp 7852–7862 DOI: 10.1021/ic201062h Supporting Info

Gold(I) Catalysts with Bifunctional P, N Ligands Corinna Wetzel, Peter C. Kunz, Indre Thiel, and Bernhard Spingler pp 7863–7870 DOI: 10.1021/ic2011259 Supporting Info

Computational Studies of Lewis Acidities of Tris(fluorophenyl)-Substituted Boranes: An Additive Relationship between Lewis Acidity and Fluorine Position Bridget L. Durfey and Thomas M. Gilbert pp 7871–7879 DOI: 10.1021/ic201182p Supporting Info

LiSbO2: Synthesis, Structure, Stability, and Lithium-Ion Conductivity Benjamin P. de Laune, Ryan D. Bayliss, and Colin Greaves pp 7880–7885 DOI: 10.1021/ic201183e Supporting Info

Examples of Reductive Azo Cleavage and Oxidative Azo Bond Formation on Re2(CO)10 Template: Isolation and Characterization of Re(III) Complexes of New Azo-Aromatic Ligands Nanda D. Paul, Subhas Samanta, Tapan K. Mondal, and Sreebrata Goswami pp 7886–7893 DOI: 10.1021/ic201200r Supporting Info

Heterometallic Derivatives of [Fe2Cp2(μ-PCy)(μ-CO)(CO)2]: Rational Synthesis of Polynuclear Complexes from Neutral Precursors Having Pyramidal–Phosphinidene Bridges M. Angeles Alvarez, M. Esther García, Rocío González, Alberto Ramos, and Miguel A. Ruiz pp 7894–7906 DOI: 10.1021/ic2012342 Supporting Info

Issue 17

Construction of Polyoxometalate-Based Inorganic–Organic Compounds Using Silver(I) Double Helicates as Secondary Building Blocks Dongbin Dang, Guangshui Zheng, Yan Bai, Fan Yang, Hui Gao, Pengtao Ma, and Jingyang Niu pp 7907–7909 DOI: 10.1021/ic200159w Supporting Info

Nanoparticles of the Novel Coordination Polymer KBi(H2O)2[Fe(CN)6]·H2O As a Potential Contrast Agent for Computed Tomography Vindya S. Perera, Jihua Hao, Min Gao, Maya Gough, Peter Y. Zavalij, Chris Flask, James P. Basilion, and Songping D. Huang pp 7910–7912 DOI: 10.1021/ic200587s Supporting Info

[BMIm]4[Sn9Se20]: Ionothermal Synthesis of a Selenidostannate with a 3D Open-Framework Structure Yumei Lin and Stefanie Dehnen pp 7913–7915 DOI: 10.1021/ic200697k Supporting Info

Synthesis of New Metalloporphyrin Triads: Efficient and Versatile Tripod Optical Sensor for the Detection of Amines Sara M. A. Pinto, Mirtha A. O. Lourenço, Mário J. F. Calvete, Artur R. Abreu, Mário T. S. Rosado, Hugh D. Burrows, and Mariette M. Pereira pp 7916–7918 DOI: 10.1021/ic200727f Supporting Info

One-Dimensionally Extended Paddlewheel Dirhodium Complexes from Metal–Metal Bonds with Diplatinum Complexes Kazuhiro Uemura and Masahiro Ebihara pp 7919–7921 DOI: 10.1021/ic200786k Supporting Info

Structural Diversity in Metal Complexes with a Dinucleating Ligand Containing Carboxyamidopyridyl Groups Gary K.-Y. Ng, Joseph W. Ziller, and A. S. Borovik pp 7922–7924 DOI: 10.1021/ic200881t Supporting Info

An Oxidized Active Site Model for the FeFe Hydrogenase: Reduction with Hydrogen Gas Steven L. Matthews and D. Michael Heinekey pp 7925–7927 DOI: 10.1021/ic2009573 Supporting Info

Computational Investigation of the Concerted Dismutation of Chlorite Ion by Water-Soluble Iron Porphyrins Jason M. Keith, Mahdi M. Abu-Omar, and Michael B. Hall pp 7928–7930 DOI: 10.1021/ic2009732 Supporting Info

Three-Dimensional Hybrid Framework Containing U2O13 Dimers Connected via Cation–Cation Interactions Rachel C. Severance, Mark D. Smith, and Hans-Conrad zur Loye pp 7931–7933 DOI: 10.1021/ic200985m Supporting Info

Shape-Persistent Octanuclear Zinc Salen Clusters: Synthesis, Characterization, and Catalysis Robert M. Haak, Antonello Decortes, Eduardo C. Escudero-Adán, Marta Martínez Belmonte, Eddy Martin, Jordi Benet-Buchholz, and Arjan W. Kleij pp 7934–7936 DOI: 10.1021/ic201064d Supporting Info

Selective Recognition of Americium by Peptide-Based Reagents Salih Özçubukçu, Kalyanaswer Mandal, Seraphine Wegner, Mark P. Jensen, and Chuan He pp 7937–7939 DOI: 10.1021/ic201094e Supporting Info

A Homometallic Tricapped Cubane Cluster: [(Cp*Mo)4B4H4(μ4-BH)3] (Cp* = η5-C5Me5) Arunabha Thakur, Satyanarayan Sahoo, and Sundargopal Ghosh pp 7940–7942 DOI: 10.1021/ic201201j Supporting Info

High Relaxivity and Stability of a Hydroxyquinolinate-Based Tripodal Monoaquagadolinium Complex for Use as a Bimodal MRI/Optical Imaging Agent Gaylord Tallec, Pascal H. Fries, Daniel Imbert, and Marinella Mazzanti pp 7943–7945 DOI: 10.1021/ic2012793 Supporting Info

Trans Titanium(IV) Complexes of Salen Ligands Exhibit High Antitumor Activity Avia Tzubery and Edit Y. Tshuva pp 7946–7948 DOI: 10.1021/ic201296h Supporting Info

Synthesis and Characterization of a Stable Cyclic gem-Bis(phosphaylide): a 4π-Electron Three-Membered Heterocycle Nicola Dellus, Tsuyoshi Kato, Nathalie Saffon-Merceron, Vicenç Branchadell, and Antoine Baceiredo pp 7949–7951 DOI: 10.1021/ic2013182 Supporting Info

A Dyad as Photocatalyst for Light-Driven Sulfide Oxygenation with Water As the Unique Oxygen Atom Source Olivier Hamelin, Pascal Guillo, Frédérique Loiseau, Michel-Franck Boissonnet, and Stéphane Ménage pp 7952–7954 DOI: 10.1021/ic201431z Supporting Info

Properties, Solution State Behavior, and Crystal Structures of Chelates of DOTMA Silvio Aime, Mauro Botta, Zoltán Garda, Benjamin E. Kucera, Gyula Tircso, Victor G. Young, and Mark Woods pp 7955–7965 DOI: 10.1021/ic2012827 Supporting Info

Analysis of the Conformational Behavior and Stability of the SAP and TSAP Isomers of Lanthanide(III) NB-DOTA-Type Chelates Gyula Tircso, Benjamin C. Webber, Benjamin E. Kucera, Victor G. Young, and Mark Woods pp 7966–7979 DOI: 10.1021/ic2012843 Supporting Info

Net Heterolytic Cleavage of B–H and B–B Bonds Across the N–Pd Bond in a Cationic (PNP)Pd Fragment Yanjun Zhu, Chun-Hsing Chen, Claudia M. Fafard, Bruce M. Foxman, and Oleg V. Ozerov pp 7980–7987 DOI: 10.1021/ic2001283 Supporting Info

Modification in Structure, Phase Transition, and Magnetic Property of Metallic Gallium Driven by Atom–Molecule Interactions Le Xin Song, Jie Chen, Lin Hong Zhu, Juan Xia, and Jun Yang pp 7988–7996 DOI: 10.1021/ic200137f Supporting Info

Synthesis, Crystal Structures, Photophysical Properties, and Bioimaging of Living Cells of Bis-β-Diketonate Phenothiazine Ligands and Its Cyclic Dinuclear Complexes Dongmei Li, Xiaohe Tian, Guiju Hu, Qiong Zhang, Peng Wang, Pingping Sun, Hongping Zhou, Xiangming Meng, Jiaxiang Yang, Jieying Wu, Baokang Jin, Shengyi Zhang, Xutang Tao, and Yupeng Tian pp 7997–8006 DOI: 10.1021/ic200150h Supporting Info

Vibrational Properties of CaAlH5 and α-AlH3 with Different AlH6 Networks Studied by Inelastic Neutron Scattering Toyoto Sato, A. J. (Timmy) Ramirez-Cuesta, Kazutaka Ikeda, Shin-ichi Orimo, and Kazuyoshi Yamada pp 8007–8011 DOI: 10.1021/ic200231f Supporting Info

Reactivity of Nickel(II) and Copper(II) Complexes of a β-Aminohydrazone Ligand with Pyridine-2-aldehyde: Macrocyclization vs Unprecedented Pyrazole Ring Synthesis via C–C Bond-Forming Reaction Oindrila Das, Ennio Zangrando, and Tapan Kanti Paine pp 8012–8019 DOI: 10.1021/ic200261j Supporting Info

Synthesis, Crystal and Electronic Structures, and Properties of the New Pnictide Semiconductors A2CdPn2 (A = Ca, Sr, Ba, Eu; Pn = P, As) Jian Wang, Min Yang, Ming-Yan Pan, Sheng-Qing Xia, and Xu-Tang Tao , Hua He, Gregory Darone, and Svilen Bobev pp 8020–8027 DOI: 10.1021/ic200286t Supporting Info

A Highly Distorted Open-Shell Endohedral Zintl Cluster: [Mn@Pb12]3– Binbin Zhou, Tobias Krämer, Amber L. Thompson, John E. McGrady, and Jose M. Goicoechea pp 8028–8037 DOI: 10.1021/ic200329m Supporting Info

Synthesis of Gold Nanoparticle Catalysts Based on a New Water-Soluble Ionic Polymer Ilaria Biondi, Gábor Laurenczy, and Paul J. Dyson pp 8038–8045 DOI: 10.1021/ic200334m Supporting Info

Polymer-Anchored Peroxo Compounds of Vanadium(V) and Molybdenum(VI): Synthesis, Stability, and Their Activities with Alkaline Phosphatase and Catalase Jeena Jyoti Boruah, Diganta Kalita, Siva Prasad Das, Saurav Paul, and Nashreen S. Islam pp 8046–8062 DOI: 10.1021/ic200368g Supporting Info

Toward Stereoselective Lactide Polymerization Catalysts: Cationic Zinc Complexes Supported by a Chiral Phosphinimine Scaffold Hongsui Sun, Jamie S. Ritch, and Paul G. Hayes pp 8063–8072 DOI: 10.1021/ic201139b Supporting Info

Pd2+/Pd0 Redox Cycling in Hexagonal YMn0.5Fe0.5O3: Implications for Catalysis by PGM-Substituted Complex Oxides Joshua A. Kurzman, Jun Li, Thomas D. Schladt, César R. Parra, Xiaoying Ouyang, Ryan Davis, Jeffrey T. Miller, Susannah L. Scott, and Ram Seshadri pp 8073–8084 DOI: 10.1021/ic200455a

Mechanisms of Reductive Eliminations in Square Planar Pd(II) Complexes: Nature of Eliminated Bonds and Role of trans Influence P. K. Sajith and Cherumuttathu H. Suresh pp 8085–8093 DOI: 10.1021/ic2004563 Supporting Info

Reactions of the Bis(dialkylphosphino)methane Complexes Pd2X2(μ-R2PCH2PR2)2 (X = halogen, R = Me or Et) with H2S, S8, COS, and CS2; Detection of Reaction Intermediates Craig B. Pamplin, Steven J. Rettig, Brian O. Patrick, and Brian R. James pp 8094–8105 DOI: 10.1021/ic200503d Supporting Info

A Comparative Study of Gold Nanocubes, Octahedra, and Rhombic Dodecahedra as Highly Sensitive SERS Substrates Hsin-Lun Wu, Huei-Ru Tsai, Yun-Ting Hung, Ka-Un Lao, Ching-Wen Liao, Pei-Ju Chung, Jer-Shing Huang, I-Chia Chen, and Michael H. Huang pp 8106–8111 DOI: 10.1021/ic200504n Supporting Info

Structural and Spectroscopic Properties of LaOF:Eu3+ Nanocrystals Prepared by the Sol–Gel Pechini Method Tomasz Grzyb and Stefan Lis pp 8112–8120 DOI: 10.1021/ic2005453

Assessment of the Electronic Structure of 2,2′-Pyridylpyrrolides as Ligands Jaime A. Flores, José G. Andino, Nikolay P. Tsvetkov, Maren Pink, Robert J. Wolfe, Ashley R. Head, Dennis L. Lichtenberger, Joseph Massa, and Kenneth G. Caulton pp 8121–8131 DOI: 10.1021/ic2005503 Supporting Info

Regioselective Orthopalladation of (Z)-2-Aryl-4-Arylidene-5(4H)-Oxazolones: Scope, Kinetico-Mechanistic, and Density Functional Theory Studies of the C–H Bond Activation Gheorghe-Doru Roiban, Elena Serrano, Tatiana Soler, Gabriel Aullón, Ion Grosu, Carlos Cativiela, Manuel Martínez, and Esteban P. Urriolabeitia pp 8132–8143 DOI: 10.1021/ic200564d Supporting Info

Magnetic Ordering in Three-Dimensional Metal–Organic Frameworks Based on Carboxylate Bridged Square-Grid Layers Qian Sun, Ai-ling Cheng, Yan-Qin Wang, Yu Ma, and En-Qing Gao pp 8144–8152 DOI: 10.1021/ic200592s Supporting Info

Heterobimetallic Dibenzoindenyl (Cr(CO)3–Re(CO)3) Complexes via Chromium-Templated [3 + 2 + 1]Benzannulation: Synthesis and Molecular Structures Julien Dubarle Offner, Gregor Schnakenburg, Françoise Rose-Munch, Eric Rose, and Karl Heinz Dötz pp 8153–8157 DOI: 10.1021/ic200628a Supporting Info

Syntheses, Molecular Structures, Electrochemical Behavior, Theoretical Study, and Antitumor Activities of Organotin(IV) Complexes Containing 1-(4-Chlorophenyl)-1-cyclopentanecarboxylato Ligands Xianmei Shang, Xianggao Meng, Elisabete C.B.A. Alegria, Qingshan Li, M.Fátima C. Guedes da Silva, Maxim L. Kuznetsov, and Armando J.L. Pombeiro pp 8158–8167 DOI: 10.1021/ic200635g Supporting Info

Effect of Thioethers on DNA Platination by trans-Platinum Complexes Chan Li, Rongrong Huang, Yi Ding, Einar Sletten, Fabio Arnesano, Maurizio Losacco, Giovanni Natile, and Yangzhong Liu pp 8168–8176 DOI: 10.1021/ic200637t Supporting Info

“Covalent Hydration” Reactions in Model Monomeric Ru 2,2′-Bipyridine Complexes: Thermodynamic Favorability as a Function of Metal Oxidation and Overall Spin States Abdullah Ozkanlar, Jonathan L. Cape, James K. Hurst, and Aurora E. Clark pp 8177–8187 DOI: 10.1021/ic200646h Supporting Info

Probing Intermetallic Coupling in Dinuclear N-Heterocyclic Carbene Ruthenium(II) Complexes Laszlo Mercs, Antonia Neels, Helen Stoeckli-Evans, and Martin Albrecht pp 8188–8196 DOI: 10.1021/ic200651h Supporting Info

Phosphorescent Binuclear Iridium Complexes Based on Terpyridine–Carboxylate: An Experimental and Theoretical Study Eugen S. Andreiadis, Daniel Imbert, Jacques Pécaut, Adrian Calborean, Ilaria Ciofini, Carlo Adamo, Renaud Demadrille, and Marinella Mazzanti pp 8197–8206 DOI: 10.1021/ic200704s Supporting Info

Synthesis and Characterization of Fluorescent Pyrrolyldipyrrinato Sn(IV) Complexes Sarah M. Crawford, Adeeb Al-Sheikh Ali, T. Stanley Cameron, and Alison Thompson pp 8207–8213 DOI: 10.1021/ic200731t Supporting Info

Synthesis, Structural Charaterization, and Electrochemical and Optical Properties of Ferrocene–Triazole–Pyridine Triads Tomás Romero, Raúl A. Orenes, Arturo Espinosa, Alberto Tárraga, and Pedro Molina pp 8214–8224 DOI: 10.1021/ic200745q Supporting Info

Tetra-2,3-pyrazinoporphyrazines with Externally Appended Thienyl Rings: Synthesis, UV–Visible Spectra, Electrochemical Behavior, and Photoactivity for the Generation of Singlet Oxygen Giorgia De Mori, Zhen Fu, Elisa Viola, Xiaohui Cai, Claudio Ercolani, Maria Pia Donzello, and Karl M. Kadish pp 8225–8237 DOI: 10.1021/ic2007556 Supporting Info

Electronic Structure of a Weakly Antiferromagnetically Coupled MnIIMnIII Model Relevant to Manganese Proteins: A Combined EPR, 55Mn-ENDOR, and DFT Study Nicholas Cox, William Ames, Boris Epel, Leonid V. Kulik, Leonid Rapatskiy, Frank Neese, Johannes Messinger, Karl Wieghardt, and Wolfgang Lubitz pp 8238–8251 DOI: 10.1021/ic200767e Supporting Info

Characterization and Properties of Novel Gallium-Doped Calcium Phosphate Ceramics Charlotte Mellier, Franck Fayon, Verena Schnitzler, Philippe Deniard, Mathieu Allix, Sophie Quillard, Dominique Massiot, Jean-Michel Bouler, Bruno Bujoli, and Pascal Janvier pp 8252–8260 DOI: 10.1021/ic2007777 Supporting Info

Highly Luminescent Tridentate NC*N Platinum(II) Complexes Featured in Fused Five–Six-Membered Metallacycle and Diminishing Concentration Quenching Dileep A. K. Vezzu, Deepak Ravindranathan, Alexander W. Garner, Libero Bartolotti, Meredith E. Smith, Paul D. Boyle, and Shouquan Huo pp 8261–8273 DOI: 10.1021/ic200794b Supporting Info

Nearest- and Next-Nearest-Neighbor Ru(II)/Ru(III) Electronic Coupling in Cyanide-Bridged Tetra-Ruthenium Square Complexes. Ju-Ling Lin, Chia-Nung Tsai, Sheng-Yi Huang, John F. Endicott, Yuan-Jang Chen, and Hsing-Yin Chen pp 8274–8280 DOI: 10.1021/ic200806a Supporting Info

Amination Reaction on Copper and Germanium β-Nitrocorrolates Manuela Stefanelli, Federica Mandoj, Marco Mastroianni, Sara Nardis, Pruthviray Mohite, Frank R. Fronczek, Kevin M. Smith, Karl M. Kadish, Xiao Xiao, Zhongping Ou, Ping Chen, and Roberto Paolesse pp 8281–8292 DOI: 10.1021/ic2008073 Supporting Info

Blue-Light Emission of Cu(I) Complexes and Singlet Harvesting Rafał Czerwieniec, Jiangbo Yu, and Hartmut Yersin pp 8293–8301 DOI: 10.1021/ic200811a Supporting Info

Effect of Nitrate, Perchlorate, and Water on Uranyl(VI) Speciation in a Room-Temperature Ionic Liquid: A Spectroscopic Investigation Sofie P. Pasilis and Alexander Blumenfeld pp 8302–8307 DOI: 10.1021/ic2008232 Supporting Info

Dimensionality Control of Vapochromic Hydrogen-Bonded Proton-Transfer Assemblies Composed of a Bis(hydrazone)iron(II) Complex Mee Chang, Atsushi Kobayashi, Kiyohiko Nakajima, Ho-Chol Chang, and Masako Kato pp 8308–8317 DOI: 10.1021/ic2008396 Supporting Info

DNA Cleavage Activity of Fe(II)N4Py under Photo Irradiation in the Presence of 1,8-Naphthalimide and 9-Aminoacridine: Unexpected Effects of Reactive Oxygen Species Scavengers Qian Li, Wesley R. Browne, and Gerard Roelfes pp 8318–8325 DOI: 10.1021/ic2008478 Supporting Info

Weak Interactions Modulating the Dimensionality in Supramolecular Architectures in Three New Nickel(II)-Hydrazone Complexes, Magnetostructural Correlation, and Catalytic Potential for Epoxidation of Alkenes under Phase Transfer Conditions Dipali Sadhukhan, Aurkie Ray, Guillaume Pilet, Corrado Rizzoli, Georgina M. Rosair, Carlos J. Gómez-García, Sandra Signorella, Sebastián Bellú, and Samiran Mitra pp 8326–8339 DOI: 10.1021/ic200846j Supporting Info

New Fe3+/ Cr3+ Perovskites with Anomalous Transport Properties: The Solid Solution LaxBi1–xFe0.5Cr0.5O3 (0.4 ≤ x ≤ 1) M. E. Villafuerte-Castrejón, M. García-Guaderrama, L. Fuentes, J. Prado-Gonjal, A. M. González, M. Á. de la Rubia, M. García-Hernández, and E. Morán pp 8340–8347 DOI: 10.1021/ic2008864

Unusual Metal Ion Selectivities of the Highly Preorganized Tetradentrate Ligand 1,10-Phenanthroline-2,9-dicarboxamide: A Thermodynamic and Fluorescence Study Danielle Merrill, James M. Harrington, Hee-Seung Lee, and Robert D. Hancock pp 8348–8355 DOI: 10.1021/ic200905f

Modeling the Geometric, Electronic, and Redox Properties of Iron(III)-Containing Amphiphiles with Asymmetric [NN′O] Headgroups Rajendra Shakya, Marco M. Allard, Mara Johann, Mary Jane Heeg, Eva Rentschler, Jason M. Shearer, Bruce McGarvey, and Cláudio N. Verani pp 8356–8366 DOI: 10.1021/ic2009368 Supporting Info

Flexible and Hydrophobic Zn-Based Metal–Organic Framework Ines Maria Hauptvogel, Ralf Biedermann, Nicole Klein, Irena Senkovska, Amandine Cadiau, Dirk Wallacher, Ralf Feyerherm, and Stefan Kaskel pp 8367–8374 DOI: 10.1021/ic200937u Supporting Info

Eight-Coordinated Arsenic in the Zintl Phases RbCd4As3 and RbZn4As3: Synthesis and Structural Characterization Hua He, Chauntae Tyson, and Svilen Bobev pp 8375–8383 DOI: 10.1021/ic2009418 Supporting Info

Exploring the Structure and Properties of Transition Metal Templated {VM17(VO4)2} Dawson-Like Capsules Haralampos N. Miras, Daniel Stone, De-Liang Long, Eric J. L. McInnes, Paul Kögerler, and Leroy Cronin pp 8384–8391 DOI: 10.1021/ic200943s Supporting Info

Extra Large Macrocycle: 40-Membered Macrocycle via 2:2 Cyclization and Its Dimercury(II) Complex Daram Jung, Rie Chamura, Yoichi Habata, and Shim Sung Lee pp 8392–8396 DOI: 10.1021/ic2009607 Supporting Info

Manganese Kβ X-ray Emission Spectroscopy As a Probe of Metal–Ligand Interactions Martha A. Beckwith, Michael Roemelt, Marie-Noëlle Collomb, Carole DuBoc, Tsu-Chien Weng, Uwe Bergmann, Pieter Glatzel, Frank Neese, and Serena DeBeer pp 8397–8409 DOI: 10.1021/ic200970t Supporting Info

A Copper(I) Homocubane Collapses to a Tetracapped Tetrahedron Upon Hydride Insertion Ping-Kuei Liao, Kuan-Guan Liu, Ching-Shiang Fang, C. W. Liu, John P. Fackler, Jr., and Ying-Yann Wu pp 8410–8417 DOI: 10.1021/ic2009896 Supporting Info

Experimental Charge Density Analysis of a Gallium(I) N-Heterocyclic Carbene Analogue Jacob Overgaard, Cameron Jones, Deepak Dange, and James A. Platts pp 8418–8426 DOI: 10.1021/ic2009946 Supporting Info

Multireversible Redox Processes in Pentanuclear Bis(Triple-Helical) Manganese Complexes Featuring an Oxo-Centered triangular {MnII2MnIII(μ3-O)}5+ or {MnIIMnIII2(μ3-O)}6+ Core Wrapped by Two {MnII2(bpp)3}− Sophie Romain, Jordi Rich, Cristina Sens, Thibaut Stoll, Jordi Benet-Buchholz, Antoni Llobet, Montserrat Rodriguez, Isabel Romero, Rodolphe Clérac, Corine Mathonière, Carole Duboc, Alain Deronzier, and Marie-Noëlle Collomb pp 8427–8436 DOI: 10.1021/ic201009z Supporting Info

Lanthanide(III)/Pyrimidine-4,6-dicarboxylate/Oxalate Extended Frameworks: A Detailed Study Based on the Lanthanide Contraction and Temperature Effects Javier Cepeda, Rolindes Balda, Garikoitz Beobide, Oscar Castillo, Joaquín Fernández, Antonio Luque, Sonia Pérez-Yáñez, Pascual Román, and Daniel Vallejo-Sánchez pp 8437–8451 DOI: 10.1021/ic201013v Supporting Info

Ferrocene-Conjugated l-Tryptophan Copper(II) Complexes of Phenanthroline Bases Showing DNA Photocleavage Activity and Cytotoxicity Tridib K. Goswami, Balabhadrapatruni V. S. K. Chakravarthi, Mithun Roy, Anjali A. Karande, and Akhil R. Chakravarty pp 8452–8464 DOI: 10.1021/ic201028e Supporting Info

Modulation of Metal–Metal Separations in a Series of Ag(I) and Intensely Blue Photoluminescent Cu(I) NHC-Bridged Triangular Clusters Vincent J. Catalano, Lyndsay B. Munro, Christoph E. Strasser, and Ahmad F. Samin pp 8465–8476 DOI: 10.1021/ic201053t Supporting Info

PAs3S3 Cage as a New Building Block in Copper Halide Coordination Polymers Patrick Schwarz, Joachim Wachter, and Manfred Zabel pp 8477–8483 DOI: 10.1021/ic201060b Supporting Info

Dilution-Induced Slow Magnetic Relaxation and Anomalous Hysteresis in Trigonal Prismatic Dysprosium(III) and Uranium(III) Complexes Katie R. Meihaus, Jeffrey D. Rinehart, and Jeffrey R. Long pp 8484–8489 DOI: 10.1021/ic201078r Supporting Info

On the Formation of “Hypercoordinated” Uranyl Complexes George Schoendorff, Wibe A. de Jong, Michael J. Van Stipdonk, John K. Gibson, Daniel Rios, Mark S. Gordon, and Theresa L. Windus pp 8490–8493 DOI: 10.1021/ic201080z Supporting Info

CsTe2O6–x: Novel Mixed-Valence Tellurium Oxides with Framework-Deficient Pyrochlore-Related Structure Theeranun Siritanon, Jun Li, Judith K. Stalick, Robin T. Macaluso, Arthur W. Sleight, and M. A. Subramanian pp 8494–8501 DOI: 10.1021/ic2010375 Supporting Info

N-Heterocyclic Carbene Stabilized Dichlorosilylene Transition-Metal Complexes of V(I), Co(I), and Fe(0) Rajendra S. Ghadwal, Ramachandran Azhakar, Kevin Pröpper, Julian J. Holstein, Birger Dittrich, and Herbert W. Roesky pp 8502–8508 DOI: 10.1021/ic201096c Supporting Info

On the Solvation of the Zn2+ Ion in Methanol: A Combined Quantum Mechanics, Molecular Dynamics, and EXAFS Approach Valentina Migliorati, Giovanni Chillemi, and Paola D’Angelo pp 8509–8515 DOI: 10.1021/ic201100q

Ladder-Type P,S-Bridged trans-Stilbenes Wannes Weymiens, Mark Zaal, J. Chris Slootweg, Andreas W. Ehlers, and Koop Lammertsma pp 8516–8523 DOI: 10.1021/ic201116p Supporting Info

Two Different Hydrogen Bond Donor Ligands Together: A Selectivity Improvement in Organometallic {Re(CO)3} Anion Hosts Laura Ion, Sonia Nieto, Julio Pérez, Lucía Riera, Víctor Riera, Jesús Díaz, Ramón López, Kirsty M. Anderson, and Jonathan W. Steed pp 8524–8531 DOI: 10.1021/ic201120s Supporting Info

Modeling Structures and Vibrational Frequencies for Dinitrosyl Iron Complexes (DNICs) with Density Functional Theory Scott M. Brothers, Marcetta Y. Darensbourg, and Michael B. Hall pp 8532–8540 DOI: 10.1021/ic201137t Supporting Info

N-Heterocyclic Carbene Ligands as Mimics of Imidazoles/Histidine for the Stabilization of Di- and Trinitrosyl Iron Complexes Jennifer L. Hess, Chung-Hung Hsieh, Joseph H. Reibenspies, and Marcetta Y. Darensbourg pp 8541–8552 DOI: 10.1021/ic201138f Supporting Info

Reversible and Irreversible Vapor-Induced Guest Molecule Exchange in Spin-Crossover Compounds Rong-Jia Wei, Jun Tao, Rong-Bin Huang, and Lan-Sun Zheng pp 8553–8564 DOI: 10.1021/ic201142t Supporting Info

Ambient Isobaric Heat Capacities, Cp,m, for Ionic Solids and Liquids: An Application of Volume-Based Thermodynamics (VBT) Leslie Glasser and H. Donald Brooke Jenkins pp 8565–8569 DOI: 10.1021/ic201093p Supporting Info

Luminescent Cyclometalated Iridium(III) Polypyridine Di-2-picolylamine Complexes: Synthesis, Photophysics, Electrochemistry, Cation Binding, Cellular Internalization, and Cytotoxic Activity Pui-Kei Lee, Wendell Ho-Tin Law, Hua-Wei Liu, and Kenneth Kam-Wing Lo pp 8570–8579 DOI: 10.1021/ic201153d Supporting Info

ST = 22 [Mn10] Supertetrahedral Building-Block to Design Extended Magnetic Networks Gang Wu, Jian Huang, Linlin Sun, Jiaquan Bai, Guanghua Li, Eduard Cremades, Eliseo Ruiz, Rodolphe Clérac, and Shilun Qiu pp 8580–8587 DOI: 10.1021/ic201154n Supporting Info

Lanthanide-Mediated Supramolecular Cages and Host–Guest Interactions Badr El Aroussi, Laure Guénée, Prodipta Pal, and Josef Hamacek pp 8588–8597 DOI: 10.1021/ic201156q Supporting Info

Novel Cyclopalladated Imino-thiophenes: Synthesis and Reactivity Toward Alkynes and Carbon Monoxide Luciano Cuesta, Dune Prat, Tatiana Soler, Rafael Navarro, and Esteban P. Urriolabeitia pp 8598–8607 DOI: 10.1021/ic201158v Supporting Info

Single-Stranded Oligonucleotide Adducts Formed by Pt Complexes Favoring Left-Handed Base Canting: Steric Effect of Flanking Residues and Relevance to DNA Adducts Formed by Pt Anticancer Drugs Jamil S. Saad, Patricia A. Marzilli, Francesco P. Intini, Giovanni Natile, and Luigi G. Marzilli pp 8608–8620 DOI: 10.1021/ic2011716 Supporting Info

Synthesis and Characterization of Thorium(IV) Sulfates Karah E. Knope, Richard E. Wilson, S. Skanthakumar, and L. Soderholm pp 8621–8629 DOI: 10.1021/ic201175u Supporting Info

Redox Trends in Terpyridine Nickel Complexes James T. Ciszewski, Dmitry Y. Mikhaylov, Kirill V. Holin, Marsil K. Kadirov, Yulia H. Budnikova, Oleg Sinyashin, and David A. Vicic pp 8630–8635 DOI: 10.1021/ic201184x Supporting Info

Syntheses, Structures, and Magnetic Properties of Low-Dimensional Heterometallic Complexes Based on the Versatile Building Block [(Tp)Cr(CN)3]− Min-Xia Yao, Zheng-You Wei, Zhi-Guo Gu, Qi Zheng, Yan Xu, and Jing-Lin Zuo pp 8636–8644 DOI: 10.1021/ic2011875 Supporting Info

Intramolecular N→Sn Coordination in Tin(II) and Tin(IV) Compounds Based on Enantiopure Ephedrine Derivatives Thomas Zöller, Ljuba Iovkova-Berends, Thorsten Berends, Christina Dietz, Gerrit Bradtmöller, and Klaus Jurkschat pp 8645–8653 DOI: 10.1021/ic201203u Supporting Info

Alkynylisocyanide Gold Mesogens as Precursors of Gold Nanoparticles Rubén Chico, Eva Castillejos, Philippe Serp, Silverio Coco, and Pablo Espinet pp 8654–8662 DOI: 10.1021/ic201210p

“A” Cation Polarity Control in ACuTe2O7 (A = Sr2+, Ba2+, or Pb2+) Jeongho Yeon, Sang-Hwan Kim, Michael A. Hayward, and P. Shiv Halasyamani pp 8663–8670 DOI: 10.1021/ic2012217 Supporting Info

Synthesis and Characterization of Nickel Inverse 9-Metallacrown-3, Palladium–Silver, and Dinuclear Platinum Complexes Containing Pyrazole-Functionalized NHC Ligands Chao Chen, Huayu Qiu, and Wanzhi Chen pp 8671–8678 DOI: 10.1021/ic2012233 Supporting Info

Synthesis and Characterization of Sulfuryl Diazide, O2S(N3)2 Xiaoqing Zeng, Helmut Beckers, Eduard Bernhardt, and Helge Willner pp 8679–8684 DOI: 10.1021/ic201294b Supporting Info

Issue 18

Tuning of the Spin Distribution between Ligand- and Metal-Based Spin: Electron Paramagnetic Resonance of Mixed-Ligand Molybdenum Tris(dithiolene) Complex Anions Ulrich Fekl, Biprajit Sarkar, Wolfgang Kaim, Marco Zimmer-De Iuliis, and Neilson Nguyen pp 8685–8687 DOI: 10.1021/ic201047k Supporting Info

Hexanuclear Dysprosium(III) Compound Incorporating Vertex- and Edge-Sharing Dy3 Triangles Exhibiting Single-Molecule-Magnet Behavior Haiquan Tian, Yun-Nan Guo, Lang Zhao, Jinkui Tang, and Zhiliang Liu pp 8688–8690 DOI: 10.1021/ic201121p Supporting Info

Two New Methods of Synthesis for the Perbromate Ion: Chemistry and Determination by LC-MS/MS Aleksey N. Pisarenko, Robert Young, Oscar Quiñones, Brett J. Vanderford, and Douglas B. Mawhinney pp 8691–8693 DOI: 10.1021/ic201329q Supporting Info

Spin Control in Oxamato-Based Manganese(II)–Copper(II) Coordination Polymers with Brick-Wall Layer Architectures Jesús Ferrando-Soria, Jorge Pasán, Catalina Ruiz-Pérez, Yves Journaux, Miguel Julve, Francesc Lloret, Joan Cano, and Emilio Pardo pp 8694–8696 DOI: 10.1021/ic201437u Supporting Info

A 3,4-Connected Beryllium Phosphite Framework Containing 24-Ring Channels with a Very Low Density Xiuchao Luo, Daibing Luo, Hongmei Zeng, Maochu Gong, Yaoqiang Chen, and Zhien Lin pp 8697–8699 DOI: 10.1021/ic2014539 Supporting Info

Probing the Nature of the CoIII Ion in Corrins: The Structural and Electronic Properties of Dicyano- and Aquacyanocobyrinic Acid Heptamethyl Ester and a Stable Yellow Dicyano- and Aquacyanocobyrinic Acid Heptamethyl Ester Susan M. Chemaly, Kenneth L. Brown, Manuel A. Fernandes, Orde Q. Munro, Craig Grimmer, and Helder M. Marques pp 8700–8718 DOI: 10.1021/ic200285k Supporting Info

Probing the Nature of the CoIII Ion in Corrins: A Comparison of the Thermodynamics and Kinetics of the Ligand Substitution Reactions of Aquacyanocobyrinic Acid Heptamethyl Ester and Stable Yellow Aquacyanocobyrinic Acid Heptamethyl Ester Susan M. Chemaly, Melissa Florczak, Heinrich Dirr, and Helder M. Marques pp 8719–8727 DOI: 10.1021/ic200288b Supporting Info

The Cause for Tremendous Acceleration of Chloride Substitution via Base Catalysis in the Chloro Pentaammine Cobalt(III) Ion Basile F. E. Curchod and François P. Rotzinger pp 8728–8740 DOI: 10.1021/ic102034n Supporting Info

Theoretical Analysis of the Spin Hamiltonian Parameters in Co(II)S4 Complexes, Using Density Functional Theory and Correlated ab initio Methods Dimitrios Maganas, Silvia Sottini, Panayotis Kyritsis, Edgar J. J. Groenen, and Frank Neese pp 8741–8754 DOI: 10.1021/ic200299y

Spectroscopic and Computational Studies of Glutathionylcobalamin: Nature of Co–S Bonding and Comparison to Co–C Bonding in Coenzyme B12 Karen S. Conrad and Thomas C. Brunold pp 8755–8766 DOI: 10.1021/ic200428r Supporting Info

Structure and Magnetism of the Quasi-1-d K4Cu(MoO4)3 and the Structure of K4Zn(MoO4)3 Melissa C. Menard, Rieko Ishii, Satoru Nakatsuji, and Julia Y. Chan pp 8767–8773 DOI: 10.1021/ic200476n Supporting Info

Synthesis, Structure, Negative Thermal Expansion, and Photocatalytic Property of Mo Doped ZrV2O7 Prangya Parimita Sahoo, S. Sumithra, Giridhar Madras, and T. N. Guru Row pp 8774–8781 DOI: 10.1021/ic201224g Supporting Info

Reaction Mechanism of the Reverse Water–Gas Shift Reaction Using First-Row Middle Transition Metal Catalysts L′M (M = Fe, Mn, Co): A Computational Study Cong Liu, Thomas R. Cundari, and Angela K. Wilson pp 8782–8789 DOI: 10.1021/ic200602v Supporting Info

Smart Heterostructures for Tailoring the Optical Properties of Photochromic Hybrid Organic–Inorganic Polyoxometalates Rémi Dessapt, Marie Gabard, Martine Bujoli-Doeuff, Philippe Deniard, and Stéphane Jobic pp 8790–8796 DOI: 10.1021/ic200653d Supporting Info

Novel Small Stable Gold Nanoparticles Bearing Fluorescent Cysteine–Coumarin Probes as New Metal-Modulated Chemosensors Elisabete Oliveira, Cristina Nuñez, Benito Rodríguez-González, José Luis Capelo, and Carlos Lodeiro pp 8797–8807 DOI: 10.1021/ic200664z Supporting Info

Microwave-Assisted Construction of Ferromagnetic Coordination Polymers of [WV(CN)8]3- with CuII-pyrazole Synthons Olaf Stefanczyk, Tomasz Korzeniak, Wojciech Nitek, Michał Rams, and Barbara Sieklucka pp 8808–8816 DOI: 10.1021/ic200689a Supporting Info

Disproportionation of O-Methylhydroxylamine Catalyzed by Aquapentacyanoferrate(II) María M. Gutiérrez, José A. Olabe, and Valentín T. Amorebieta pp 8817–8825 DOI: 10.1021/ic2007155 Supporting Info

Why Vanadium Complexes Perform Poorly in Comparison to Related Molybdenum Complexes in the Catalytic Reduction of Dinitrogen to Ammonia (Schrock Cycle): A Theoretical Study Ankur Kanti Guha and Ashwini K. Phukan pp 8826–8833 DOI: 10.1021/ic200765s Supporting Info

Bioinspired Systems for Metal-Ion Sensing: New Emissive Peptide Probes Based on Benzo[d]oxazole Derivatives and Their Gold and Silica Nanoparticles Elisabete Oliveira, Damiano Genovese, Riccardo Juris, Nelsi Zaccheroni, José Luis Capelo, M. Manuela M. Raposo, Susana P. G. Costa, Luca Prodi, and Carlos Lodeiro pp 8834–8849 DOI: 10.1021/ic200792t Supporting Info

Electrochemical, Spectroscopic, and Photophysical Properties of Structurally Diverse Polyazine-Bridged Ru(II),Pt(II) and Os(II),Ru(II),Pt(II) Supramolecular Motifs Jessica D. Knoll, Shamindri M. Arachchige, Guangbin Wang, Krishnan Rangan, Ran Miao, Samantha L. H. Higgins, Benjamin Okyere, Meihua Zhao, Paul Croasdale, Katherine Magruder, Brian Sinclair, Candace Wall, and Karen J. Brewer pp 8850–8860 DOI: 10.1021/ic200793f

Ca10Ge16B6O51 and Cd12Ge17B8O58: Two Types of New 3D Frameworks Based on BO4 Tetrahedra and 1D [Ge4O12]n Chains Xiang Xu, Chun-Li Hu, Fan Kong, Jian-Han Zhang, and Jiang-Gao Mao pp 8861–8868 DOI: 10.1021/ic2008254 Supporting Info

Hydrolysis of Glycosides with Microgel Catalysts Susanne Striegler, Michael Dittel, Rami Kanso, Natasha A. Alonso, and Evert C. Duin pp 8869–8878 DOI: 10.1021/ic200837z Supporting Info

From Simple to Complex: Topological Evolution and Luminescence Variation in a Copper(I) Pyridylpyrazolate System Tuned via Second Ligating Spacers Shun-Ze Zhan, Mian Li, Xiao-Ping Zhou, Jia Ni, Xiao-Chun Huang, and Dan Li pp 8879–8892 DOI: 10.1021/ic200854s Supporting Info

Ni5, Ni8, and Ni10 Clusters with 2,6-Diacetylpyridine-dioxime as a Ligand Albert Escuer, Jordi Esteban, and Olivier Roubeau pp 8893–8901 DOI: 10.1021/ic200895q Supporting Info

Model Study of CO Inhibition of [NiFe]hydrogenase Takahiro Matsumoto, Ryota Kabe, Kyoshiro Nonaka, Tatsuya Ando, Ki-Seok Yoon, Hidetaka Nakai, and Seiji Ogo pp 8902–8906 DOI: 10.1021/ic200965t Supporting Info

Molecular Gallosilicates and Their Group 4 Multimetallic Derivatives Diego Solis-Ibarra, Miriam de J. Velásquez-Hernández, Raúl Huerta-Lavorie, and Vojtech Jancik pp 8907–8917 DOI: 10.1021/ic200976d Supporting Info

Au(CN)n Complexes: Superhalogens with Pseudohalogen as Building Blocks Devleena Samanta, Miao Miao Wu, and Purusottam Jena pp 8918–8925 DOI: 10.1021/ic201040c

Promising Fast Energy Transfer System via an Easy Synthesis: Bodipy–Porphyrin Dyads Connected via a Cyanuric Chloride Bridge, Their Synthesis, and Electrochemical and Photophysical Investigations Theodore Lazarides, Georgios Charalambidis, Alexandra Vuillamy, Marius Réglier, Emmanuel Klontzas, Georgios Froudakis, Susanne Kuhri, Dirk M. Guldi, and Athanassios G. Coutsolelos pp 8926–8936 DOI: 10.1021/ic201052k Supporting Info

Group 13 Lewis Acid Adducts of [PCl2N]3 Zin-Min Tun, Amy J. Heston, Matthew J. Panzner, Doug A. Medvetz, Brian D. Wright, Deepa Savant, Venkat R. Dudipala, Debasish Banerjee, Peter L. Rinaldi, Wiley J. Youngs, and Claire A. Tessier pp 8937–8945 DOI: 10.1021/ic201075z Supporting Info

Gadolinium DOTA Chelates Featuring Alkyne Groups Directly Grafted on the Tetraaza Macrocyclic Ring: Synthesis, Relaxation Properties, “Click” Reaction, and High-Relaxivity Micelles Christian Vanasschen, Nouri Bouslimani, David Thonon, and Jean F. Desreux pp 8946–8958 DOI: 10.1021/ic2010997

Carboxylate-Free MnIII2LnIII2 (Ln = Lanthanide) and MnIII2YIII2 Complexes from the Use of (2-Hydroxymethyl)pyridine: Analysis of Spin Frustration Effects Constantina Papatriantafyllopoulou, Khalil A. Abboud, and George Christou pp 8959–8966 DOI: 10.1021/ic2011106 Supporting Info

First Three-Dimensional Inorganic–Organic Hybrid Material Constructed From an “Inverted Keggin” Polyoxometalate and a Copper(I)-Organic Complex Bo Liu, Zhen-Tao Yu, Jin Yang, Wu Hua, Ying-Ying Liu, and Jian-Fang Ma pp 8967–8972 DOI: 10.1021/ic201135g Supporting Info

Synthesis, Characterization, and Catalase Activity of a Water-Soluble diMnIII Complex of a Sulphonato-Substituted Schiff Base Ligand: An Efficient Catalyst for H2O2 Disproportionation Claudia Palopoli, Natalia Bruzzo, Christelle Hureau, Sonia Ladeira, Daniel Murgida, and Sandra Signorella pp 8973–8983 DOI: 10.1021/ic2011452 Supporting Info

Thermodynamic and Kinetic Studies on Novel Dinuclear Platinum(II) Complexes Containing Bidentate N,N-donor ligands Stephanie Hochreuther, Ralph Puchta, and Rudi van Eldik pp 8984–8996 DOI: 10.1021/ic201151h Supporting Info

1D + 1D → 1D Polyrotaxane, 2D + 2D → 3D Interpenetrated, and 3D Self-Penetrated Divalent Metal Terephthalate Bis(pyridylformyl)piperazine Coordination Polymers Curtis Y. Wang, Zachary M. Wilseck, and Robert L. LaDuca pp 8997–9003 DOI: 10.1021/ic201196g Supporting Info

Experimental and Theoretical Studies of the Vibrational and Electronic Spectra of a Lanthanide Ion at a Site of Th Symmetry: Pr3+ in Cs2NaPr(NO2)6 Wenyu Li, Lixin Ning, Michèle D. Faucher, and Peter A. Tanner pp 9004–9013 DOI: 10.1021/ic201225k Supporting Info

Synthesis and Properties of Oxo-carboxylato- and Dioxo-Bridged Diosmium Complexes of Tris(2-pyridylmethyl)amine Hideki Sugimoto, Kazuhiro Kitayama, Kenji Ashikari, Chikako Matsunami, Naomi Ueda, Keisuke Umakoshi, Yuko Hosokoshi, Yoichi Sasaki, and Shinobu Itoh pp 9014–9023 DOI: 10.1021/ic201230k Supporting Info

Iron(II) Binding to Amyloid-β, the Alzheimer’s Peptide Fatima Bousejra-ElGarah, Christian Bijani, Yannick Coppel, Peter Faller, and Christelle Hureau pp 9024–9030 DOI: 10.1021/ic201233b Supporting Info

Capture of the Complex [Ni(dto)2]2– (dto2– = Dithiooxalato Ligand) in a Mo12 Ring: Synthesis, Characterizations, and Application toward the Reduction of Protons Akram Hijazi, Justin Claude Kemmegne-Mbouguen, Sébastien Floquet, Jérôme Marrot, Cédric R. Mayer, Vincent Artero, and Emmanuel Cadot pp 9031–9038 DOI: 10.1021/ic201239y Supporting Info

Fast H/D Exchange of B,B′,B″-Tribromoborazine in C6D6 in the Presence of Aluminum Tribromide: First Evidence for an Electrophilic Substitution Reaction of Borazines in Solution Alexey Y. Timoshkin, Igor V. Kazakov, Anna S. Lisovenko, Michael Bodensteiner, and Manfred Scheer pp 9039–9044 DOI: 10.1021/ic201240h Supporting Info

Triggered Dye Release via Photodissociation of Nitric Oxide from Designed Ruthenium Nitrosyls: Turn-ON Fluorescence Signaling of Nitric Oxide Delivery Nicole L. Fry, Julia Wei, and Pradip K. Mascharak pp 9045–9052 DOI: 10.1021/ic201242d Supporting Info

Water Exchange Reactivity and Stability of Cobalt Polyoxometalates under Catalytically Relevant pH Conditions: Insight into Water Oxidation Catalysis Dominik Lieb, Achim Zahl, Elizabeth F. Wilson, Carsten Streb, Leanne C. Nye, Karsten Meyer, and Ivana Ivanović-Burmazović pp 9053–9058 DOI: 10.1021/ic201243n Supporting Info

Influence of Crystallization State and Microstructure on the Chemical Durability of Cerium–Neodymium Mixed Oxides Laurent Claparede, Nicolas Clavier, Nicolas Dacheux, Philippe Moisy, Renaud Podor, and Johann Ravaux pp 9059–9072 DOI: 10.1021/ic201269c

Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit Qiang Gao, Xiqu Wang, and Allan J. Jacobson pp 9073–9082 DOI: 10.1021/ic201274c Supporting Info

Isolation of a Metastable Geometrical Isomer of a Hexacoordinated Dihydrophosphate: Elucidation of Its Enhanced Reactivity in Umpolung of a Hydrogen Atom of Water Hideaki Miyake, Naokazu Kano, and Takayuki Kawashima pp 9083–9089 DOI: 10.1021/ic2012765 Supporting Info

Mechanochromic Luminescence Switch of Platinum(II) Complexes with 5-Trimethylsilylethynyl-2,2′-bipyridine Jun Ni, Xu Zhang, Nan Qiu, Yu-Hui Wu, Li-Yi Zhang, Jing Zhang, and Zhong-Ning Chen pp 9090–9096 DOI: 10.1021/ic2012777 Supporting Info

Two- and Three-Dimensional Silver(I)-Organic Networks Generated from Mono- and Dicarboxylphenylethynes Ying Zhao, Peng Zhang, Bao Li, Xianggao Meng, and Tianle Zhang pp 9097–9105 DOI: 10.1021/ic2012809 Supporting Info

Light-Driven Transformation of ZnS-Cyclohexylamine Nanocomposite into Zinc Hydroxysulfate: A Photochemical Route to Inorganic Nanosheets Xiao-Xin Zou, Guo-Dong Li, Jun Zhao, Pei-Pei Wang, Yu-Ning Wang, Li-Jing Zhou, Juan Su, Lu Li, and Jie-Sheng Chen pp 9106–9113 DOI: 10.1021/ic201289b Supporting Info

Metalloporphyrin Mixed-Valence π-Cation Radicals: [Fe(oxoOEC•/2)(Cl)]2SbCl6, Structure, Magnetic Properties, and Near-IR Spectra Ming Li, Teresa J. Neal, Graeme R. A. Wyllie, Allen G. Oliver, Charles E. Schulz, and W. Robert Scheidt pp 9114–9121 DOI: 10.1021/ic201292t Supporting Info

Multifunctional Magnetic Materials Obtained by Insertion of Spin-Crossover FeIII Complexes into Chiral 3D Bimetallic Oxalate-Based Ferromagnets Miguel Clemente-León, Eugenio Coronado, Maurici López-Jordà, and João C. Waerenborgh pp 9122–9130 DOI: 10.1021/ic201293f Supporting Info

An Unusually Flexible Expanded Hexaamine Cage and Its CuII Complexes: Variable Coordination Modes and Incomplete Encapsulation Chang-Jin Qin, Lloyd James, Jy D. Chartres, Leighton J. Alcock, Kimberley J. Davis, Anthony C. Willis, Alan M. Sargeson, Paul V. Bernhardt, and Stephen F. Ralph pp 9131–9140 DOI: 10.1021/ic201326d Supporting Info

Synthesis and Structure of a Bismuth(III)/Chromium(VI) Oxo Cluster Containing a Bi4Cr4O12 Core Guo-Cang Wang, Xiao-Yi Yi, Ian D. Williams, and Wa-Hung Leung pp 9141–9146 DOI: 10.1021/ic201351j Supporting Info

Isoreticular Expansion of Metal–Organic Frameworks with Triangular and Square Building Units and the Lowest Calculated Density for Porous Crystals Hiroyasu Furukawa, Yong Bok Go, Nakeun Ko, Young Kwan Park, Fernando J. Uribe-Romo, Jaheon Kim, Michael O’Keeffe, and Omar M. Yaghi pp 9147–9152 DOI: 10.1021/ic201376t Supporting Info

Crystal Water Molecules as Magnetic Tuners in Molecular Metamagnets Exhibiting Antiferro–Ferro–Paramagnetic Transitions Radovan Herchel, Jiří Tuček, Zdeněk Trávníček, Dimitris Petridis, and Radek Zbořil pp 9153–9163 DOI: 10.1021/ic201358c Supporting Info

A Potent Ruthenium(II) Antitumor Complex Bearing a Lipophilic Levonorgestrel Group José Ruiz, Venancio Rodríguez, Natalia Cutillas, Arturo Espinosa, and Michael J. Hannon pp 9164–9171 DOI: 10.1021/ic201388n Supporting Info

Three Banana-Shaped Arsenomolybdates Encapsulating a Hexanuclear Transition-Metal Central Magnetic Cluster: [AsIII2FeIII5MMo22O85(H2O)]n− (M = Fe3+, n = 14; M = Ni2+ and Mn2+, n = 15) Bin Liu, Lili Li, Yanping Zhang, Ying Ma, Huaiming Hu, and Ganglin Xue pp 9172–9177 DOI: 10.1021/ic201418q Supporting Info

A Turn-on Fluorescent Iron Complex and Its Cellular Uptake Jy D. Chartres, Michael Busby, Mark J. Riley, Jason J. Davis, and Paul V. Bernhardt pp 9178–9183 DOI: 10.1021/ic201495r Supporting Info

Highly NIR-Emissive Lanthanide Polyselenides Anna Kornienko, Brian F. Moore, G. Ajith Kumar, Mei-Chee Tan, Richard E. Riman, Mikhail G. Brik, Thomas J. Emge, and John G. Brennan pp 9184–9190 DOI: 10.1021/ic201509v Supporting Info

Existence of Two Concomitant Magnetic Structures Below TNéel for the Natrochalcite, NaFeII2(H3O2)(MoO4)2 Wassim Maalej, Serge Vilminot, Gilles André, Zakaria Elaoud, Tahar Mhiri, and Mohamedally Kurmoo pp 9191–9199 DOI: 10.1021/ic2015308 Supporting Info

Issue 19

Deconvoluting Subensemble Chemical Reaction Kinetics of Platinum–Sulfur Ligand Exchange Detected with Single-Molecule Fluorescence Microscopy N. Melody Esfandiari, Yong Wang, Jonathan Y. Bass, and Suzanne A. Blum pp 9201–9203 DOI: 10.1021/ic2007952 Supporting Info

An Elegant Room Temperature Procedure for the Precise Control of Composition in the Cu–S System Prashant Kumar and R. Nagarajan pp 9204–9206 DOI: 10.1021/ic201133a Supporting Info

Intriguing Two-Dimensional Assembly of Cobaloxime with a [Zn2(OOCR)4] Center Sarvendra Kumar and B. D. Gupta pp 9207–9209 DOI: 10.1021/ic201435j Supporting Info

Poly(pyrazolyl)aluminate Complexes Containing Aluminum–Hydrogen Bonds Christopher J. Snyder, Mary Jane Heeg, and Charles H. Winter pp 9210–9212 DOI: 10.1021/ic201541c Supporting Info

[Ru(bpy)2(5-cyanouracil)2]2+ as a Potential Light-Activated Dual-Action Therapeutic Agent Robert N. Garner, Judith C. Gallucci, Kim R. Dunbar, and Claudia Turro pp 9213–9215 DOI: 10.1021/ic201615u Supporting Info

Toward Functional Ni-SOD Biomimetics: Achieving a Structural/Electronic Correlation with Redox Dynamics Eric M. Gale, Andrew C. Simmonett, Joshua Telser, Henry F. Schaefer, III, and Todd C. Harrop pp 9216–9218 DOI: 10.1021/ic201822f Supporting Info

Electronic Structure and Bonding in Heteronuclear Dimers of V, Cr, Mo, and W: a CASSCF/CASPT2 Study Fernando Ruipérez, Jesus M. Ugalde, and Ivan Infante pp 9219–9229 DOI: 10.1021/ic200061h Supporting Info

Trivalent Actinide and Lanthanide Separations by Tetradentate Nitrogen Ligands: A Quantum Chemistry Study Jian-Hui Lan, Wei-Qun Shi, Li-Yong Yuan, Yu-Liang Zhao, Jun Li, and Zhi-Fang Chai pp 9230–9237 DOI: 10.1021/ic200078j Supporting Info

Crystal Structure of [Al4(OH)6(H2O)12][Al(H2O)6]2Br12: A New Polyaluminum Compound Zhong Sun, Hui Wang, Huijun Feng, Ying Zhang, and Shuangyan Du pp 9238–9242 DOI: 10.1021/ic2002749 Supporting Info

Mono- and Dinuclear Iron Complexes of Bis(1-methylimidazol-2-yl)ketone (bik): Structure, Magnetic Properties, and Catalytic Oxidation Studies Pieter C. A. Bruijnincx, Inge L. C. Buurmans, Yuxing Huang, Gergely Juhász, Marta Viciano-Chumillas, Manuel Quesada, Jan Reedijk, Martin Lutz, Anthony L. Spek, Eckard Münck, Emile L. Bominaar, and Robertus J. M. Klein Gebbink pp 9243–9255 DOI: 10.1021/ic200332y Supporting Info

Analogues of the Lavallo–Grubbs Compound Fe3(C8H8)3: Equilateral, Isosceles, and Scalene Metal Triangles in Trinuclear Cyclooctatetraene Complexes M3(C8H8)3 of the First Row Transition Metals (M = Ti, V, Cr, Mn, Fe, Co, and Ni) Hongyan Wang, Zhonghua Sun, Yaoming Xie, R. Bruce King, and Henry F. Schaefer, III pp 9256–9265 DOI: 10.1021/ic200337w Supporting Info

Universal Phase Transitions of B1-Structured Stoichiometric Transition Metal Carbides Zhisheng Zhao, Xiang-Feng Zhou, Li-Min Wang, Bo Xu, Julong He, Zhongyuan Liu, Hui-Tian Wang, and Yongjun Tian pp 9266–9272 DOI: 10.1021/ic200356x Supporting Info

Multiple Structures and Dynamics of [CpRu(CO)2]2 and [CpFe(CO)2]2 in Solution Revealed with Two-Dimensional Infrared Spectroscopy Jessica M. Anna, John T. King, and Kevin J. Kubarych pp 9273–9283 DOI: 10.1021/ic200466b Supporting Info

Inducing Effect of Additive Agents on Coordination Assembly of Silver(I) Nitrate with 3,5-Bis(2-pyridyl)-4-amino-1,2,4-triazole: Supramolecular Isomerism and Interconversion Cheng-Peng Li, Jing-Min Wu, and Miao Du pp 9284–9289 DOI: 10.1021/ic200540c Supporting Info

First-Row Transition-Metal Chloride Complexes of the Wide Bite-Angle Diphosphine iPrDPDBFphos and Reactivity Studies of Monovalent Nickel Elodie E. Marlier, Stephen J. Tereniak, Keying Ding, Jenna E. Mulliken, and Connie C. Lu pp 9290–9299 DOI: 10.1021/ic200589e Supporting Info

Structure of Complexes Formed by Dissolution of Palladium Diacetate in Methanol and Chloroform. In Situ NMR Study Valentina M. Nosova, Yuri A. Ustynyuk, Lev G. Bruk, Oleg N. Temkin, Alexander V. Kisin, and Pavel A. Storozhenko pp 9300–9310 DOI: 10.1021/ic200617e Supporting Info

Growth of Piezoelectric Water-Free GeO2 and SiO2-Substituted GeO2 Single-Crystals A. Lignie, P. Armand, and P. Papet pp 9311–9317 DOI: 10.1021/ic200661q

Photochemical Two-Electron Reduction of a Dinuclear Ruthenium Complex Containing a Bent Tetraazatetrapyridopentacene Bridging Ligand: Pushing Up the LUMO for Storing More Energy Shreeyukta Singh, Norma R. de Tacconi, N.R.G. Diaz, Reynaldo O. Lezna, Jackeline Muñoz Zuñiga, Kenneth Abayan, and Frederick M. MacDonnell pp 9318–9328 DOI: 10.1021/ic2006698

Bond Shortening (1.4 Å) in the Singlet and Triplet Excited States of [Ir2(dimen)4]2+ in Solution Determined by Time-Resolved X-ray Scattering Kristoffer Haldrup, Tobias Harlang, Morten Christensen, Asmus Dohn, Tim Brandt van Driel, Kasper Skov Kjær, Niels Harrit, Johan Vibenholt, Laurent Guerin, Michael Wulff, and Martin Meedom Nielsen pp 9329–9336 DOI: 10.1021/ic2006875 Supporting Info

Electronic State of a Conducting Single Molecule Magnet Based on Mn-salen Type and Ni-Dithiolene Complexes Kazuya Kubo, Takuya Shiga, Takashi Yamamoto, Akiko Tajima, Taro Moriwaki, Yuka Ikemoto, Masahiro Yamashita, Elisa Sessini, Maria Laura Mercuri, Paola Deplano, Yasuhiro Nakazawa, and Reizo Kato pp 9337–9344 DOI: 10.1021/ic200863c Supporting Info

Decorating Diruthenium Compounds with Fréchet Dendrons via the Click Reaction William P. Forrest, Zhi Cao, Wei-Zhong Chen, Kerry M. Hassell, Anastasia Kharlamova, Greta Jakstonyte, and Tong Ren pp 9345–9353 DOI: 10.1021/ic200929r Supporting Info

Synthesis of cis and trans Bis-alkynyl Complexes of Cr(III) and Rh(III) Supported by a Tetradentate Macrocyclic Amine: A Spectroscopic Investigation of the M(III)–Alkynyl Interaction Chivin Sun, Christopher R. Turlington, W. Walsh Thomas, James H. Wade, Wade M. Stout, David L. Grisenti, William P. Forrest, Donald G. VanDerveer, and Paul S. Wagenknecht pp 9354–9364 DOI: 10.1021/ic2009336 Supporting Info

Manganese(II)-Containing MRI Contrast Agent Employing a Neutral and Non-Macrocyclic Ligand Qiao Zhang, John D. Gorden, Ronald J. Beyers, and Christian R. Goldsmith pp 9365–9373 DOI: 10.1021/ic2009495 Supporting Info

Pore with Gate: Enhancement of the Isosteric Heat of Adsorption of Dihydrogen via Postsynthetic Cation Exchange in Metal−Organic Frameworks Sihai Yang, Gregory S. B. Martin, Jeremy J. Titman, Alexander J. Blake, David R. Allan, Neil R. Champness, and Martin Schröder pp 9374–9384 DOI: 10.1021/ic200967b Supporting Info

Seminaphthofluorescein-Based Fluorescent Probes for Imaging Nitric Oxide in Live Cells Michael D. Pluth, Maria R. Chan, Lindsey E. McQuade, and Stephen J. Lippard pp 9385–9392 DOI: 10.1021/ic200986v Supporting Info

Length-Controllable Catalyzing-Synthesis and Length-Corresponding Properties of FeCo/Pt Nanorods Ming Wen, Xiangguo Meng, Baolei Sun, Qingsheng Wu, and Xiaolan Chai pp 9393–9399 DOI: 10.1021/ic201410f

Density Functional Analysis of the Magnetic Structure of Li3RuO4: Importance of the Ru–O···O–Ru Spin-Exchange Interactions and Substitutional Ru Defects at the Li Sites Won-Joon Son, Pascal Manuel, Devashibhai Adroja, and Myung-Hwan Whangbo pp 9400–9405 DOI: 10.1021/ic201023j

Nature of Halide Binding to the Molybdenum Site of Sulfite Oxidase M. Jake Pushie, Christian J. Doonan, Heather L. Wilson, K. V. Rajagopalan, and Graham. N. George pp 9406–9413 DOI: 10.1021/ic201030u Supporting Info

Synthesis, Characterization, and Electronic Structure of New Type of Heterometallic Boride Clusters Shubhankar Kumar Bose, K. Geetharani, Satyanarayan Sahoo, K. Hari Krishna Reddy, Babu Varghese, Eluvathingal D. Jemmis, and Sundargopal Ghosh pp 9414–9422 DOI: 10.1021/ic201046g Supporting Info

Ligand Binding Intermediates of Nitrosylated Human Hemoglobin Induced at Low Temperature by X-ray Irradiation Alessandro Arcovito and Stefano Della Longa pp 9423–9429 DOI: 10.1021/ic201086u

Synthesis and Properties of Metal–Ligand Complexes with Endohedral Amine Functionality Amber M. Johnson, Orly Moshe, Ana S. Gamboa, Brian W. Langloss, John F. K. Limtiaco, Cynthia K. Larive, and Richard J. Hooley pp 9430–9442 DOI: 10.1021/ic201092s Supporting Info

Synthesis and Reactivity of New Ni, Pd, and Pt 2,6-Bis(di-tert-butylphosphinito)pyridine Pincer Complexes Sabuj Kundu, William W. Brennessel, and William D. Jones pp 9443–9453 DOI: 10.1021/ic201102v Supporting Info

Tetrylenes Chelated by Hybrid Amido–Amino Ligand: Derivatives of 2-[(N,N-Dimethylamino)methyl]aniline Hana Vaňkátová, Lies Broeckaert, Frank De Proft, Roman Olejník, Jan Turek, Zdeňka Padělková, and Aleš Růžička pp 9454–9464 DOI: 10.1021/ic2011056 Supporting Info

Luminescent Rhenium(I) Polypyridine Fluorous Complexes as Novel Trifunctional Biological Probes Man-Wai Louie, Tommy Tsz-Him Fong, and Kenneth Kam-Wing Lo pp 9465–9471 DOI: 10.1021/ic201143f

Multinuclear Cytotoxic Metallodrugs: Physicochemical Characterization and Biological Properties of Novel Heteronuclear Gold–Titanium Complexes Margot Wenzel, Benoît Bertrand, Marie-Joëlle Eymin, Virginie Comte, Jennifer A. Harvey, Philippe Richard, Michael Groessl, Olivier Zava, Hedi Amrouche, Pierre D. Harvey, Pierre Le Gendre, Michel Picquet, and Angela Casini pp 9472–9480 DOI: 10.1021/ic201155y Supporting Info

Ditantalum Dinitrogen Complex: Reaction of H2 Molecule with “End-on-Bridged” [TaIV]2(μ-η1:η1-N2) and Bis(μ-nitrido) [TaV]2(μ-N)2 Complexes Wenchao Zhang, Yanhui Tang, Ming Lei, Keiji Morokuma, and Djamaladdin G. Musaev pp 9481–9490 DOI: 10.1021/ic201159z Supporting Info

Synthetic and Structural Studies of Donor-Functionalized Alkoxy Derivatives of Gallium Caroline E. Knapp, David Pugh, Paul F. McMillan, Ivan P. Parkin, and Claire J. Carmalt pp 9491–9498 DOI: 10.1021/ic201167r Supporting Info

Immobilization, Trapping, and Anion Exchange of Perrhenate Ion Using Copper-Based Tripodal Complexes Rui Cao, Brian D. McCarthy, and Stephen J. Lippard pp 9499–9507 DOI: 10.1021/ic201172r Supporting Info

Nitrogen Atom Transfer from Iron(IV) Nitrido Complexes: A Dual-Nature Transition State for Atom Transfer Jeremiah J. Scepaniak, Charles G. Margarit, Jeremy N. Harvey, and Jeremy M. Smith pp 9508–9517 DOI: 10.1021/ic201190c Supporting Info

New Functionalized Flexible Al-MIL-53-X (X = -Cl, -Br, -CH3, -NO2, -(OH)2) Solids: Syntheses, Characterization, Sorption, and Breathing Behavior Shyam Biswas, Tim Ahnfeldt, and Norbert Stock pp 9518–9526 DOI: 10.1021/ic201219g Supporting Info

Phase Transitions of AlFeO3 and GaFeO3 from the Chiral Orthorhombic (Pna21) Structure to the Rhombohedral (R3̅c) Structure Rana Saha, Ajmala Shireen, Sharmila N. Shirodkar, Mukta Shashi Singh, Umesh V. Waghmare, A. Sundaresan, and C. N. R. Rao pp 9527–9532 DOI: 10.1021/ic201235h

Unprecedented Luminescent Heteropolynuclear Aggregates with Gold Thiolates as Building Blocks Olga Crespo, M. Concepción Gimeno, Antonio Laguna, Fernando J. Lahoz, and Carmen Larraz pp 9533–9544 DOI: 10.1021/ic201245q Supporting Info

New Ternary and Quaternary Barium Nitride Halides; Synthesis and Crystal Chemistry Andrew S. Bailey, Robert W. Hughes, Peter Hubberstey, Clemens Ritter, Ronald I. Smith, and Duncan H. Gregory pp 9545–9553 DOI: 10.1021/ic201264u Supporting Info

Active-Site Models for the Nickel–Iron Hydrogenases: Effects of Ligands on Reactivity and Catalytic Properties Maria E. Carroll, Bryan E. Barton, Danielle L. Gray, Amanda E. Mack, and Thomas B. Rauchfuss pp 9554–9563 DOI: 10.1021/ic2012759 Supporting Info

Multimetallic Synergic Sedation of a Labile Sodium Atrane: Synthesis and Characterization of a Tetranuclear Sodium Atrane Cation Complex Jinfeng Zhang, Ai Liu, XiaoBo Pan, Lihui Yao, Lei Wang, Jianguo Fang, and Jincai Wu pp 9564–9570 DOI: 10.1021/ic2013123 Supporting Info

Limited Occurrence of Isocloso Deltahedra with 9 to 12 Vertices in Low-Energy Hypoelectronic Diferradicarbaborane Structures Alexandru Lupan and R. Bruce King pp 9571–9577 DOI: 10.1021/ic201321f Supporting Info

Absorption and Fluorescence Spectroscopy of Growing ZnO Quantum Dots: Size and Band Gap Correlation and Evidence of Mobile Trap States T. Jesper Jacobsson and Tomas Edvinsson pp 9578–9586 DOI: 10.1021/ic201327n Supporting Info

New Type of Heterometallic 3d–4f Rhomblike Core in Weakley-Like Polyoxometalates Santiago Reinoso, José Ramón Galán-Mascarós, and Luis Lezama pp 9587–9593 DOI: 10.1021/ic201331d Supporting Info

Mechanisms Controlling the Cellular Accumulation of Copper Bis(thiosemicarbazonato) Complexes Katherine Ann Price, Peter J. Crouch, Irene Volitakis, Brett M. Paterson, SinChun Lim, Paul S. Donnelly, and Anthony R. White pp 9594–9605 DOI: 10.1021/ic201334q

Synthesis and Structure of Dawson Polyoxometalate-Based, Multifunctional, Inorganic–Organic Hybrid Compounds: Organogermyl Complexes with One Terminal Functional Group and Organosilyl Analogues with Two Terminal Functional Groups Kenji Nomiya, Yoshihiro Togashi, Yuhki Kasahara, Shotaro Aoki, Hideaki Seki, Marie Noguchi, and Shoko Yoshida pp 9606–9619 DOI: 10.1021/ic201336v Supporting Info

Thermodynamic, Kinetic, and Mechanistic Study of Oxygen Atom Transfer from Mesityl Nitrile Oxide to Phosphines and to a Terminal Metal Phosphido Complex Xiaochen Cai, Subhojit Majumdar, George C. Fortman, Luis Manuel Frutos, Manuel Temprado, Christopher R. Clough, Christopher C. Cummins, Meaghan E. Germain, Taryn Palluccio, Elena V. Rybak-Akimova, Burjor Captain, and Carl D. Hoff pp 9620–9630 DOI: 10.1021/ic2013599 Supporting Info

Halide, Amide, Cationic, Manganese Carbonylate, and Oxide Derivatives of Triamidosilylamine Uranium Complexes Benedict M. Gardner, William Lewis, Alexander J. Blake, and Stephen T. Liddle pp 9631–9641 DOI: 10.1021/ic201372a Supporting Info

Silylation of the Uranyl Ion Using B(C6F5)3-Activated Et3SiH David D. Schnaars, Guang Wu, and Trevor W. Hayton pp 9642–9649 DOI: 10.1021/ic201385h Supporting Info

Chlorodifluoroacetyl Cyanide, ClF2CC(O)CN: Synthesis, Structure, and Spectroscopic Characterization Luis A. Ramos, Sonia E. Ulic, Rosana M. Romano, Shengrui Tong, Maofa Ge, Yuri V. Vishnevskiy, Raphael J. Berger, Norbert W. Mitzel, Helmut Beckers, Helge Willner, and Carlos O. Della Védova pp 9650–9659 DOI: 10.1021/ic201390h Supporting Info

Different Effects of a Cotemplate and [(Transition-Metal)(1,10-Phenanthroline)m]2+ (m = 1–3) Complex Cations on the Self-assembly of a Series of Hybrid Selenidostannates Showing Combined Optical Properties of Organic and Inorganic Components Guang-Ning Liu, Guo-Cong Guo, Ming-Jian Zhang, Jin-Shuang Guo, Hui-Yi Zeng, and Jin-Shun Huang pp 9660–9669 DOI: 10.1021/ic201413h Supporting Info

Kinetics and Mechanism of Alkaline Decomposition of the Pentathionate Ion by the Simultaneous Tracking of Different Sulfur Species by High-Performance Liquid Chromatography Changwei Pan, Wei Wang, Attila K. Horváth, Jingxuan Xie, Yongchao Lu, Zhen Wang, Chen Ji, and Qingyu Gao pp 9670–9677 DOI: 10.1021/ic201424m

Rationalization of the Lanthanide-Ion-Driven Magnetic Properties in a Series of 4f–5d Cyano-Bridged Chains Stefania Tanase, Marilena Ferbinteanu, and Fanica Cimpoesu pp 9678–9687 DOI: 10.1021/ic201427w Supporting Info

Neptunium Thiophosphate Chemistry: Intermediate Behavior between Uranium and Plutonium Geng Bang Jin, S. Skanthakumar, Richard G. Haire, L. Soderholm, and James A. Ibers pp 9688–9695 DOI: 10.1021/ic201493w Supporting Info

Thorium(IV) Molecular Clusters with a Hexanuclear Th Core Karah E. Knope, Richard E. Wilson, Monica Vasiliu, David A. Dixon, and L. Soderholm pp 9696–9704 DOI: 10.1021/ic2014946 Supporting Info

Modulating Magnetic Dynamics of Three Dy2 Complexes through Keto–Enol Tautomerism of the o-Vanillin Picolinoylhydrazone Ligand Yun-Nan Guo, Xiao-Hua Chen, Shufang Xue, and Jinkui Tang pp 9705–9713 DOI: 10.1021/ic2014978 Supporting Info

Synthesis and Characterization of Tris(Heteroleptic) Ru(II) Complexes Bearing Styryl Subunits Mykhaylo Myahkostupov and Felix N. Castellano pp 9714–9727 DOI: 10.1021/ic201618e Supporting Info

Mass Spectrometric and Theoretical Study of Polyiodides: The Connection between Solid State, Solution, and Gas Phases Michael Groessl, Zhaofu Fei, Paul J. Dyson, Sergey A. Katsyuba, Krista L. Vikse, and J. Scott McIndoe pp 9728–9733 DOI: 10.1021/ic201642k Supporting Info

Correction to Characterization of the Order–Disorder Dielectric Transition in the Hybrid Organic–Inorganic Perovskite-like Formate Mn(HCOO)3[(CH3)2NH2] M. Sánchez-Andújar, S. Presedo, S. Yáñez-Vilar, S. Castro-García, J. Shamir, and M. A. Señarís-Rodríguez pp 9734–9734 DOI: 10.1021/ic201638t Supporting Info

Correction to Coexistence of Intramolecular Ligand-Mediated and Through Hydrogen-Bond Magnetic Interactions in a Chain of Dicopper(II) Units José Sánchez Costa, Nuno A. G. Bandeira, Boris Le Guennic, Vincent Robert, Patrick Gamez, Guillaume Chastanet, Luis Ortiz-Frade, and Laura Gasque pp 9735–9735 DOI: 10.1021/ic2017837 Errata - link to original article

Issue 20

Preface: Forum on Redox-Active Ligands Paul J. Chirik pp 9737–9740 DOI: 10.1021/ic201881k

Noninnocence in Metal Complexes: A Dithiolene Dawn Richard Eisenberg and Harry B. Gray pp 9741–9751 DOI: 10.1021/ic2011748

Manifestations of Noninnocent Ligand Behavior Wolfgang Kaim pp 9752–9765 DOI: 10.1021/ic2003832

Ligand Redox Activity and Mixed Valency in First-Row Transition-Metal Complexes Containing Tetrachlorocatecholate and Radical Tetrachlorosemiquinonate Ligands Cortlandt G. Pierpont pp 9766–9772 DOI: 10.1021/ic201237d

Electronic Structure of 2,2′-Bipyridine Organotransition-Metal Complexes. Establishing the Ligand Oxidation Level by Density Functional Theoretical Calculations Christopher C. Scarborough and Karl Wieghardt pp 9773–9793 DOI: 10.1021/ic2005419 Supporting Info

Characterization of Noninnocent Metal Complexes Using Solid-State NMR Spectroscopy: o-Dioxolene Vanadium Complexes Pabitra B. Chatterjee, Olga Goncharov-Zapata, Laurence L. Quinn, Guangjin Hou, Hiyam Hamaed, Robert W. Schurko, Tatyana Polenova, and Debbie C. Crans pp 9794–9803 DOI: 10.1021/ic200046k Supporting Info

Study of Molybdenum(4+) Quinoxalyldithiolenes as Models for the Noninnocent Pyranopterin in the Molybdenum Cofactor Kelly G. Matz, Regina P. Mtei, Rebecca Rothstein, Martin L. Kirk, and Sharon J. Nieter Burgmayer pp 9804–9815 DOI: 10.1021/ic200783a

Tale of a Twist: Magnetic and Optical Switching in Copper(II) Semiquinone Complexes Pratik Verma, John Weir, Liviu Mirica, and T. Daniel P. Stack pp 9816–9825 DOI: 10.1021/ic200958g Supporting Info

Redox-Active Bridging Ligands Based on Indigo Diimine (“Nindigo”) Derivatives Graeme Nawn, Kate M. Waldie, Simon R. Oakley, Brendan D. Peters, Derek Mandel, Brian O. Patrick, Robert McDonald, and Robin G. Hicks pp 9826–9837 DOI: 10.1021/ic200388y Supporting Info

Synthesis, Characterization, and Multielectron Reduction Chemistry of Uranium Supported by Redox-Active α-Diimine Ligands Steven J. Kraft, Ursula J. Williams, Scott R. Daly, Eric J. Schelter, Stosh A. Kozimor, Kevin S. Boland, James M. Kikkawa, William P. Forrest, Christin N. Christensen, Daniel E. Schwarz, Phillip E. Fanwick, David L. Clark, Steve D. Conradson, and Suzanne C. Bart pp 9838–9848 DOI: 10.1021/ic2002805 Supporting Info

Designing Catalysts for Nitrene Transfer Using Early Transition Metals and Redox-Active Ligands Alan F. Heyduk, Ryan A. Zarkesh, and Andy I. Nguyen pp 9849–9863 DOI: 10.1021/ic200911b Supporting Info

Harnessing Redox-Active Ligands for Low-Barrier Radical Addition at Oxorhenium Complexes Cameron A. Lippert, Kenneth I. Hardcastle, and Jake D. Soper pp 9864–9878 DOI: 10.1021/ic200923q Supporting Info

Redox-Active Ligands and Organic Radical Chemistry Di Zhu, Indira Thapa, Ilia Korobkov, Sandro Gambarotta, and Peter H. M. Budzelaar pp 9879–9887 DOI: 10.1021/ic2002145 Supporting Info

Oxidation and Reduction of Bis(imino)pyridine Iron Dicarbonyl Complexes Aaron M. Tondreau, Carsten Milsmann, Emil Lobkovsky, and Paul J. Chirik pp 9888–9895 DOI: 10.1021/ic200730k Supporting Info

Redox Noninnocence of Carbene Ligands: Carbene Radicals in (Catalytic) C−C Bond Formation Wojciech I. Dzik, X. Peter Zhang, and Bas de Bruin pp 9896–9903 DOI: 10.1021/ic200043a

Metal-Stabilized Thiyl Radicals as Scaffolds for Reversible Alkene Addition via C–S Bond Formation/Cleavage Kagna Ouch, Mark S. Mashuta, and Craig A. Grapperhaus pp 9904–9914 DOI: 10.1021/ic200416y Supporting Info

[U(TpMe2)2(bipy)]+: A Cationic Uranium(III) Complex with Single-Molecule-Magnet Behavior Maria A. Antunes, Laura C. J. Pereira, Isabel C. Santos, Marinella Mazzanti, Joaquim Marçalo, and Manuel Almeida pp 9915–9917 DOI: 10.1021/ic200705p Supporting Info

Direct Observation of a {Re6(μ3-S)8} Core-to-Ligand Charge-Transfer Excited State in an Octahedral Hexarhenium Complex Takashi Yoshimura, Shoji Ishizaka, Tatsuya Kashiwa, Akitaka Ito, Eri Sakuda, Atsushi Shinohara, and Noboru Kitamura pp 9918–9920 DOI: 10.1021/ic2010858 Supporting Info

Two Open-Framework Germanates with Nickel Complexes Incorporated into the Framework Shiliang Huang, Kirsten Christensen, Maxim V. Peskov, Sihai Yang, Kuo Li, Xiaodong Zou, and Junliang Sun pp 9921–9923 DOI: 10.1021/ic2013478 Supporting Info

Near-Infrared Luminescent and Magnetic Cyano-Bridged Coordination Polymers Nd(phen)n(DMF)m[M(CN)8] (M = Mo, W) Jérôme Long, Elena Chelebaeva, Joulia Larionova, Yannick Guari, Rute A. S. Ferreira, Luis D. Carlos, Filipe A. Almeida Paz, Alexander Trifonov, and Christian Guérin pp 9924–9926 DOI: 10.1021/ic201394y Supporting Info

Imido-Bridged Homo- and Heterobimetallic Complexes Christian Lorber and Laure Vendier pp 9927–9929 DOI: 10.1021/ic201466f Supporting Info

Unusual Cationic Trinuclear Nickel Clusters Incorporating Oxazolines or N,N,N′,N′-Tetramethylethylene-1,2-diamine: Applications in Olefin Polymerization Sanja Resanović, R. Stephen Wylie, J. Wilson Quail, Daniel A. Foucher, and Robert A. Gossage pp 9930–9932 DOI: 10.1021/ic201478y Supporting Info

Dioxygen Activation and Substrate Oxygenation by a p-Nitrothiophenolatonickel Complex: Unique Effects of an Acetonitrile Solvent and the p-Nitro Group of the Ligand Jun Nakazawa, Hiroyuki Ogiwara, Yusuke Kashiwazaki, Akiyoshi Ishii, Naoki Imamura, Yuya Samejima, and Shiro Hikichi pp 9933–9935 DOI: 10.1021/ic201555f Supporting Info

Cs4UGe8O20: A Tetravalent Uranium Germanate Containing Four- and Five-Coordinate Germanium Quang Bac Nguyen and Kwang-Hwa Lii pp 9936–9938 DOI: 10.1021/ic201789f Supporting Info

Ligand-Triplet-Fueled Long-Lived Charge Separation in Ruthenium(II) Complexes with Bithienyl-Functionalized Ligands Marek B. Majewski, Norma R. de Tacconi, Frederick M. MacDonnell, and Michael O. Wolf pp 9939–9941 DOI: 10.1021/ic201895y Supporting Info

Novel Heterotetranuclear V2Mo2 or V2W2 Complexes with 4,4′-Di-tert-butyl-2,2′-bipyridine: Syntheses, Crystal Structures, and Catalytic Activities Shintaro Kodama, Akihiro Nomoto, Shigenobu Yano, Michio Ueshima, and Akiya Ogawa pp 9942–9947 DOI: 10.1021/ic2009094 Supporting Info

Visible-Light-Derived Photocatalyst Based on TiO2−δNδ with a Tubular Structure Yoshikazu Hirose, Toshinori Mori, Yuka Morishita, Atsushi Itadani, Takayuki Kudoh, Takahiro Ohkubo, Tomoko Matsuda, Shigeharu Kittaka, and Yasushige Kuroda pp 9948–9957 DOI: 10.1021/ic200424v Supporting Info

Reactivity of Novel N,N′-Diphosphino-Silanediamine-Based Rhodium(I) Derivatives Vincenzo Passarelli and Franco Benetollo pp 9958–9967 DOI: 10.1021/ic2004408 Supporting Info

On the Mechanism of the Copper-Mediated C–S Bond Formation in the Intramolecular Disproportionation of Imine Disulfides Tibor András Rokob, Lubomír Rulíšek, Jiří Šrogl, Ágnes Révész, Emilie L. Zins, and Detlef Schröder pp 9968–9979 DOI: 10.1021/ic200442s Supporting Info

Facile Synthesis of Zero-, One-, and Two-Dimensional Vanadyl Pyrophosphates Diego Solis-Ibarra, Jared S. Silvia, Vojtech Jancik, and Christopher C. Cummins pp 9980–9984 DOI: 10.1021/ic200510y Supporting Info

Porous CdTe Nanocrystal Assemblies: Ligation Effects on the Gelation Process and the Properties of Resultant Aerogels Qinghong Yao and Stephanie L. Brock pp 9985–9992 DOI: 10.1021/ic201333y Supporting Info

Isolation and Assessment of the Molecular and Electronic Structures of Azo-Anion-Radical Complexes of Chromium and Molybdenum. Experimental and Theoretical Characterization of Complete Electron-Transfer Series Sucheta Joy, Tobias Krämer, Nanda D. Paul, Priyabrata Banerjee, John E. McGrady, and Sreebrata Goswami pp 9993–10004 DOI: 10.1021/ic200708c Supporting Info

A Heterobimetallic Ruthenium–Gadolinium Complex as a Potential Agent for Bimodal Imaging Geert Dehaen, Peter Verwilst, Svetlana V. Eliseeva, Sophie Laurent, Luce Vander Elst, Robert N. Muller, Wim M. De Borggraeve, Koen Binnemans, and Tatjana N. Parac-Vogt pp 10005–10014 DOI: 10.1021/ic200726t Supporting Info

Combined Experimental and Theoretical Study on Redox-Active d8 Metal Dithione–Dithiolato Complexes Showing Molecular Second-Order Nonlinear Optical Activity Luca Pilia, Davide Espa, Alberto Barsella, Alain Fort, Christodoulos Makedonas, Luciano Marchiò, Maria Laura Mercuri, Angela Serpe, Christiana A. Mitsopoulou, and Paola Deplano pp 10015–10027 DOI: 10.1021/ic2007765 Supporting Info

Tridentate Lysine-Based Fluorescent Sensor for Hg(II) in Aqueous Solution Liping Chen, Liting Yang, Hongwei Li, Yang Gao, Dayi Deng, Yuqing Wu, and Li-jun Ma pp 10028–10032 DOI: 10.1021/ic200790g Supporting Info

Tris-cis-tris-trans-dodeca[organo(dimethylorganosiloxy)]cyclododecasiloxanes {RSi(O)[OSiMe2R′]}12. Self-Ordering Features Elena V. Matukhina, Yulia A. Molodtsova, Yulia A. Pozdnyakova, Mikhail I. Buzin, Viktor G. Vasil’ev, Dimitris E. Katsoulis, and Olga I. Shchegolikhina pp 10033–10040 DOI: 10.1021/ic2008123 Supporting Info

A Highly Selective On/Off Fluorescence Sensor for Cadmium(II) Qiang Zhao, Rui-Fang Li, Sheng-Kai Xing, Xiu-Ming Liu, Tong-Liang Hu, and Xian-He Bu pp 10041–10046 DOI: 10.1021/ic2008182 Supporting Info

Experimental and Computational Investigation of Thiolate Alkylation in NiII and ZnII Complexes: Role of the Metal on the Sulfur Nucleophilicity Marcello Gennari, Marius Retegan, Serena DeBeer, Jacques Pécaut, Frank Neese, Marie-Noëlle Collomb, and Carole Duboc pp 10047–10055 DOI: 10.1021/ic200899w Supporting Info

The Chemistry of Cadmium–Thiocarboxylate Derivatives: Synthesis, Structural Features, and Application As Single Source Precursors for Ternary Sulfides Jyotsna Chaturvedi, Suryabhan Singh, Subrato Bhattacharya, and Heinrich Nöth pp 10056–10069 DOI: 10.1021/ic200927w Supporting Info

Fast Carbon Dioxide Fixation by 2,6-Pyridinedicarboxamidato-nickel(II)-hydroxide Complexes: Influence of Changes in Reactive Site Environment on Reaction Rates Deguang Huang, Olga V. Makhlynets, Lay Ling Tan, Sonny C. Lee, Elena V. Rybak-Akimova, and R. H. Holm pp 10070–10081 DOI: 10.1021/ic200942u Supporting Info

6-Phosphoryl Picolinic Acids as Europium and Terbium Sensitizers Julien Andres and Anne-Sophie Chauvin pp 10082–10090 DOI: 10.1021/ic200983y Supporting Info

Dimethylplatinum(II) Complexes: Computational Insights into Pt–C Bond Protonolysis Gloria Mazzone, Nino Russo, and Emilia Sicilia pp 10091–10101 DOI: 10.1021/ic201004n Supporting Info

Low Temperature Heat Capacity and Magnetic Properties of UF3 O. Beneš, J.-C. Griveau, E. Colineau, D. Sedmidubský, and R. J. M. Konings pp 10102–10106 DOI: 10.1021/ic2010453

Antiferromagnetic Ground State of Quantum Spins in the Synthetic Imanite, Ca3Ti2Si3O12: The Lost Child of the Garnet Family Martin Valldor, André Uthe, and Reinhard Rückamp pp 10107–10112 DOI: 10.1021/ic201057h Supporting Info

Selective Hydrolysis of Phosphate Monoester by a Supramolecular Phosphatase Formed by the Self-Assembly of a Bis(Zn2+-cyclen) Complex, Cyanuric Acid, and Copper in an Aqueous Solution (Cyclen = 1,4,7,10-Tetraazacyclododecane) Mohd Zulkefeli, Asami Suzuki, Motoo Shiro, Yosuke Hisamatsu, Eiichi Kimura, and Shin Aoki pp 10113–10123 DOI: 10.1021/ic201072q Supporting Info

Reactions of the Fluorescent Sensor, Zinquin, with the Zinc-Proteome: Adduct Formation and Ligand Substitution Andrew B. Nowakowski and David H. Petering pp 10124–10133 DOI: 10.1021/ic201076w

Synthesis, Structure, and Thermally Stable Luminescence of Eu2+-Doped Ba2Ln(BO3)2Cl (Ln = Y, Gd and Lu) Host Compounds Zhiguo Xia, Xiaoming Wang, Yingxia Wang, Libing Liao, and Xiping Jing pp 10134–10142 DOI: 10.1021/ic200988w Supporting Info

Morphology-Controlled Synthesis of Hematite Nanocrystals and Their Facet Effects on Gas-Sensing Properties Yong Yang, Haixia Ma, Jing Zhuang, and Xun Wang pp 10143–10151 DOI: 10.1021/ic201104w Supporting Info

Route to Metallacrowns: The Mechanism of Formation of a Dinuclear Iron(III)-Salicylhydroxamate Complex Maria R. Beccia, Tarita Biver, Begoña García, José M. Leal, Fernando Secco, and Marcella Venturini pp 10152–10162 DOI: 10.1021/ic201112j Supporting Info

Structure and Photoluminescence Tuning Features of Mn2+- and Ln3+-Activated Zn-Based Heterometal–Organic Frameworks (MOFs) with a Single 5-Methylisophthalic Acid Ligand Qi-Bing Bo, Hong-Yan Wang, Da-Qi Wang, Zhen-Wei Zhang, Jin-Ling Miao, and Guo-Xin Sun pp 10163–10177 DOI: 10.1021/ic201124c Supporting Info

Reaction Mechanism Governing Formation of 1,3-Bis(diphenylphosphino)propane-Protected Gold Nanoclusters Jeffrey W. Hudgens, John M. Pettibone, Thomas P. Senftle, and Ryan N. Bratton pp 10178–10189 DOI: 10.1021/ic2018506 Supporting Info

Geometric and Electronic Structures of Peroxomanganese(III) Complexes Supported by Pentadentate Amino-Pyridine and -Imidazole Ligands Robert A. Geiger, Domenick F. Leto, Swarup Chattopadhyay, Pierre Dorlet, Elodie Anxolabéhère-Mallart, and Timothy A. Jackson pp 10190–10203 DOI: 10.1021/ic201168j Supporting Info

Temperature-Dependent Exchange Interaction in Molecular Magnets Cu(hfac)2LR Studied by EPR: Methodology and Interpretations Sergey L. Veber, Matvey V. Fedin, Ksenia Yu. Maryunina, Alexey Potapov, Daniella Goldfarb, Edward Reijerse, Wolfgang Lubitz, Renad Z. Sagdeev, Victor I. Ovcharenko, and Elena G. Bagryanskaya pp 10204–10212 DOI: 10.1021/ic2011869

Dual Coordination Modes of Ethylene-Linked NP2 Ligands in Cobalt(II) and Nickel(II) Iodides Qingchen Dong, Michael J. Rose, Wai-Yeung Wong, and Harry B. Gray pp 10213–10224 DOI: 10.1021/ic201213c Supporting Info

Syntheses and Characterization of Copper(II) Carboxylate Dimers Formed from Enantiopure Ligands Containing a Strong π···π Stacking Synthon: Enantioselective Single-Crystal to Single-Crystal Gas/Solid-Mediated Transformations Daniel L. Reger, Jacob J. Horger, Agota Debreczeni, and Mark D. Smith pp 10225–10240 DOI: 10.1021/ic201238n Supporting Info

Germanium Selenophosphates: The Incommensurately Modulated 1/∞[Ge4-xPxSe124–] and the Molecular [Ge2P2Se14]6– Collin D. Morris, Christos D. Malliakas, and Mercouri G. Kanatzidis pp 10241–10248 DOI: 10.1021/ic201249w Supporting Info

Fullerene- and Pyromellitdiimide-Appended Tripodal Ligands Embedded in Light-Harvesting Porphyrin Macrorings Yusuke Kuramochi, Akiharu Satake, Atula S. D. Sandanayaka, Yasuyuki Araki, Osamu Ito, and Yoshiaki Kobuke pp 10249–10258 DOI: 10.1021/ic201250q Supporting Info

Simple, Unambiguous Theoretical Approach to Oxidation State Determination via First-Principles Calculations Patrick H.-L. Sit, Roberto Car, Morrel H. Cohen, and Annabella Selloni pp 10259–10267 DOI: 10.1021/ic2013107 Supporting Info

Mechanistic Study on the Fluorination of K[B(CN)4] with ClF Enabling the High Yield and Large Scale Synthesis of K[B(CF3)4] and K[(CF3)3BCN] Eduard Bernhardt, Maik Finze, and Helge Willner pp 10268–10273 DOI: 10.1021/ic201319h Supporting Info

Spin-Glass Behavior in LaFexCo2–xP2 Solid Solutions: Interplay Between Magnetic Properties and Crystal and Electronic Structures Kirill Kovnir, V. Ovidiu Garlea, Corey M. Thompson, H. D. Zhou, William M. Reiff, Andrew Ozarowski, and Michael Shatruk pp 10274–10283 DOI: 10.1021/ic201328y Supporting Info

New Insights on the Active Species and Mechanism of Cytotoxicity of Salan-Ti(IV) Complexes: A Stereochemical Study Cesar M. Manna, Gad Armony, and Edit Y. Tshuva pp 10284–10291 DOI: 10.1021/ic201340m Supporting Info

Reactions of Phosphine Oxides with Bromophosphoranimines; Synthesis and Unusual Rearrangements of O–Donor Stabilized Phosphoranimine Cations Martin Bendle, Keith Huynh, Mairi F. Haddow, and Ian Manners pp 10292–10302 DOI: 10.1021/ic201360p Supporting Info

Site-Preferential Design of Itinerant Ferromagnetic Borides: Experimental and Theoretical Investigation of MRh6B3 (M = Fe, Co) Patrick R. N. Misse, Michael Gilleßen, and Boniface P. T. Fokwa pp 10303–10309 DOI: 10.1021/ic2013655 Supporting Info

Ba4KFe3O9: A Novel Ferrite Containing Discrete 6-Membered Rings of Corner-Sharing FeO4 Tetrahedra Qingbiao Zhao, Saritha Nellutla, Won-Joon Son, Shae A. Vaughn, Longfei Ye, Mark D. Smith, Vincent Caignaert, Michael Lufaso, Thomas M. Pekarek, Alex I. Smirnov, Myung-Hwan Whangbo, and Hans-Conrad zur Loye pp 10310–10318 DOI: 10.1021/ic201374g Supporting Info

Infrared Spectra of CH3–MF and Several Fragments Prepared by Methyl Fluoride Reactions with Laser-Ablated Cu, Ag, and Au Atoms Han-Gook Cho and Lester Andrews pp 10319–10327 DOI: 10.1021/ic2013842 Supporting Info

VO2+ Complexation by Bioligands Showing Keto–Enol Tautomerism: A Potentiometric, Spectroscopic, and Computational Study Daniele Sanna, Katalin Varnágy, Sarolta Timári, Giovanni Micera, and Eugenio Garribba pp 10328–10341 DOI: 10.1021/ic201392d

Syntheses, Structures, and Magnetic Properties of a Family of Tetra-, Hexa-, and Nonanuclear Mn/Ni Heterometallic Clusters Hui Chen, Cheng-Bing Ma, Da-Qiang Yuan, Ming-Qiang Hu, Hui-Min Wen, Qiu-Tian Liu, and Chang-Neng Chen pp 10342–10352 DOI: 10.1021/ic201403k Supporting Info

Dissection of the Mechanism of Manganese Porphyrin-Catalyzed Chlorine Dioxide Generation Thomas P. Umile, Dong Wang, and John T. Groves pp 10353–10362 DOI: 10.1021/ic201430v Supporting Info

Structural Diversity in a Series of Alkyl-Substituted Cesium Aryloxides Timothy J. Boyle, Leigh Anna M. Steele, Alia M. Saad, Mark A. Rodriguez, Todd M. Alam, and Sarah K. McIntyre pp 10363–10370 DOI: 10.1021/ic201438s Supporting Info

Kinetics of Ga(NOTA) Formation from Weak Ga-Citrate Complexes Jean-François Morfin and Éva Tóth pp 10371–10378 DOI: 10.1021/ic201445e Supporting Info

Noble Metals in Polyoxometalate Chemistry: Palladium-Containing Derivatives of the Monolacunary Keggin and Wells–Dawson Tungstophosphates Natalya V. Izarova, Abhishek Banerjee, and Ulrich Kortz pp 10379–10386 DOI: 10.1021/ic201451x Supporting Info

Introducing a Magnetic Guest to a Tetrel-Free Clathrate: Synthesis, Structure, and Properties of EuxBa8–xCu16P30 (0 ≤ x ≤ 1.5) Kirill Kovnir, Ulrike Stockert, Sergij Budnyk, Yurii Prots, Michael Baitinger, Silke Paschen, Andrei V. Shevelkov, and Yuri Grin pp 10387–10396 DOI: 10.1021/ic201474h Supporting Info

Undulating Layers in a New Rhodate Network: Structure of Bi1.4CuORh5O10 Hiroshi Mizoguchi, Yuichi Michiue, Arthur W. Sleight, and M. A. Subramanian pp 10397–10401 DOI: 10.1021/ic201481d Supporting Info

NMR Study of Ligand Exchange and Electron Self-Exchange between Oxo-Centered Trinuclear Clusters [Fe3(μ3-O)(μ-O2CR)6(4-R′py)3]+/0 Ghenadie Novitchi, Lothar Helm, Christopher Anson, Annie K. Powell, and André E. Merbach pp 10402–10416 DOI: 10.1021/ic201484q Supporting Info

Peptide-Bound Dinitrosyliron Complexes (DNICs) and Neutral/Reduced-Form Roussin’s Red Esters (RREs/rRREs): Understanding Nitrosylation of [Fe–S] Clusters Leading to the Formation of DNICs and RREs Using a De Novo Design Strategy Zong-Sian Lin, Feng-Chun Lo, Chih-Hsiang Li, Chih-Hao Chen, Wei-Ning Huang, I-Jui Hsu, Jyh-Fu Lee, Jia-Cherng Horng, and Wen-Feng Liaw pp 10417–10431 DOI: 10.1021/ic201529e Supporting Info

Facile Synthesis of Highly Luminescent Mn-Doped ZnS Nanocrystals Wenjin Zhang, Yan Li, Hua Zhang, Xinggui Zhou, and Xinhua Zhong pp 10432–10438 DOI: 10.1021/ic201547g

Exploring the Metal Coordination Properties of the Pyrimidine Part of Purine Nucleobases: Isomerization Reactions in Heteronuclear PtII/PdII of 9-Methyladenine Susana Ibáñez, Francisca M. Albertí, Pablo J. Sanz Miguel, and Bernhard Lippert pp 10439–10447 DOI: 10.1021/ic201548k Supporting Info

Oxidative Decarbonylation of m-Terphenyl Isocyanide Complexes of Molybdenum and Tungsten: Precursors to Low-Coordinate Isocyanide Complexes Treffly B. Ditri, Curtis E. Moore, Arnold L. Rheingold, and Joshua S. Figueroa pp 10448–10459 DOI: 10.1021/ic2015868 Supporting Info

Dipeptide-Based Models of Nickel Superoxide Dismutase: Solvent Effects Highlight a Critical Role to Ni–S Bonding and Active Site Stabilization Eric M. Gale, Darin M. Cowart, Robert A. Scott, and Todd C. Harrop pp 10460–10471 DOI: 10.1021/ic2016462 Supporting Info

Pressure-Induced Formation of Molecular B2X4(μ-X)2 (X = Cl, Br, I) Species Serguei Patchkovskii, Dennis D. Klug, and Yansun Yao pp 10472–10475 DOI: 10.1021/ic2016512

Family of Double-Cubane Mn4Ln2 (Ln = Gd, Tb, Dy, Ho) and Mn4Y2 Complexes: A New Mn4Tb2 Single-Molecule Magnet Arpita Saha, Michael Thompson, Khalil A. Abboud, Wolfgang Wernsdorfer, and George Christou pp 10476–10485 DOI: 10.1021/ic201683p Supporting Info

The Rich Chemistry of [Zn2Cp*2]: Trapping Three Different Types of Zinc Ligands in the PdZn7 Complex [Pd(ZnCp*)4(ZnMe)2{Zn(tmeda)}] Timo Bollermann, Kerstin Freitag, Christian Gemel, Mariusz Molon, Rüdiger W. Seidel, Moritz von Hopffgarten, Paul Jerabek, Gernot Frenking, and Roland A. Fischer pp 10486–10492 DOI: 10.1021/ic201701r Supporting Info

Balance between Fluorescence Enhancement and Association Affinity in Fluorescent Heteroditopic Indicators for Imaging Zinc Ion in Living Cells Gui-Chao Kuang, John R. Allen, Michelle A. Baird, Brian T. Nguyen, Lu Zhang, Thomas J. Morgan, Jr., Cathy W. Levenson, Michael W. Davidson, and Lei Zhu pp 10493–10504 DOI: 10.1021/ic201728f Supporting Info

Observation of Inductive Effects That Cause a Change in the Rate-Determining Step for the Conversion of Rhenium Azides to Imido Complexes Nicholas E. Travia, Zhenggang Xu, Jason M. Keith, Elon A. Ison, Phillip E. Fanwick, Michael B. Hall, and Mahdi M. Abu-Omar pp 10505–10514 DOI: 10.1021/ic2017853 Supporting Info

Correction to π-Extended and Six-Coordinate Iron(II) Complexes: Structures, Magnetic Properties, and the Electrochemical Synthesis of a Conducting Iron(II) Metallopolymer Brandon Djukic, Takele Seda, Serge I. Gorelsky, Alan J. Lough, and Martin T. Lemaire pp 10515–10515 DOI: 10.1021/ic201705s Errata - link to original article

Correction to Synthesis, Structures, Bonding, and Redox Chemistry of Ditungsten Butadiyne Complexes with W≡C–C≡W Backbones Jibin Sun, Sarah E. Shaner, Marya K. Jones, Daniel C. O’Hanlon, Jeffrey S. Mugridge, and Michael D. Hopkins pp 10516–10516 DOI: 10.1021/ic201710s Supporting Info

Issue 21

Synthesis and Structural Characterization of a Tin Analogue of Allene Wing-Por Leung, Yuk-Chi Chan, and Thomas C. W. Mak pp 10517–10518 DOI: 10.1021/ic201888d Supporting Info

Photoinduced DNA Cleavage Promoted by Two Copper(II) Complexes of Tetracyclines and 1,10-Phenanthroline Tiago Bortolotto, Priscila Pereira Silva, Ademir Neves, Elene Cristina Pereira-Maia, and Hernán Terenzi pp 10519–10521 DOI: 10.1021/ic201349s Supporting Info

Extending the Range of Neutral N-Donor Ligands Available for Metal Catalysts: N-[1-Alkylpyridin-4(1H)-ylidene]amides in Palladium-Catalyzed Cross-Coupling Reactions Peter D. W. Boyd, L. James Wright, and M. Naveed Zafar pp 10522–10524 DOI: 10.1021/ic201527s Supporting Info

Spectroelectrochemical Identification of a Pentavalent Uranyl Tetrachloro Complex in Room-Temperature Ionic Liquid Toshinari Ogura, Koichiro Takao, Kotoe Sasaki, Tsuyoshi Arai, and Yasuhisa Ikeda pp 10525–10527 DOI: 10.1021/ic2015989 Supporting Info

Pressure-Responsive Curvature Change of a “Rigid” Geodesic Ligand in a (3,24)-Connected Mesoporous Metal–Organic Framework Daqiang Yuan, Dan Zhao, and Hong-Cai Zhou pp 10528–10530 DOI: 10.1021/ic201744n Supporting Info

Two Closely Related Iridium(III) Complexes as Colorimetric and Fluorometric Chemodosimeters for Nitrite in Aqueous Solution Operating along Different Modes of Action Shu Qinghai, Jan W. Bats, and Michael Schmittel pp 10531–10533 DOI: 10.1021/ic201753v Supporting Info

Tandem Postsynthetic Modification of Metal–Organic Frameworks Using an Inverse-Electron-Demand Diels–Alder Reaction Chao Chen, Corinne A. Allen, and Seth M. Cohen pp 10534–10536 DOI: 10.1021/ic2017598 Supporting Info

Pyrazolylborates and Their Importance in Tuning Single-Molecule Magnet Properties of {FeIII2NiII} Complexes Yuan-Zhu Zhang, Uma P. Mallik, Nigam P. Rath, Rodolphe Clérac, and Stephen M. Holmes pp 10537–10539 DOI: 10.1021/ic2017825 Supporting Info

Crystal Structure Refinement and Bonding Patterns of CrB4: A Boron-Rich Boride with a Framework of Tetrahedrally Coordinated B Atoms Arno Knappschneider, Christian Litterscheid, Joshua Kurzman, Ram Seshadri, and Barbara Albert pp 10540–10542 DOI: 10.1021/ic2018083 Supporting Info

Interaction of Carbene and Olefin Donors with [Cl2PN]3: Exploration of a Reductive Pathway toward (PN)3 S. M. Ibrahim Al-Rafia, Michael J. Ferguson, and Eric Rivard pp 10543–10545 DOI: 10.1021/ic201812a Supporting Info

Dinuclear [CoII(NCMe)5CoII(NCS)4] Possessing Octahedral and Tetrahedral CoII Sites Endrit Shurdha, Curtis E. Moore, Arnold L. Rheingold, and Joel S. Miller pp 10546–10548 DOI: 10.1021/ic201832d Supporting Info

Chelating Ligand Conformation Driving the Hypoxanthine Metal Binding Patterns Dheerendra K. Patel, Duane Choquesillo-Lazarte, Alicia Domínguez-Martín, M. Pilar Brandi-Blanco, Josefa María González-Pérez, Alfonso Castiñeiras, and Juan Niclós-Gutiérrez pp 10549–10551 DOI: 10.1021/ic201918y Supporting Info

Efficient Oxidation of Cysteine and Glutathione Catalyzed by a Dinuclear Areneruthenium Trithiolato Anticancer Complex Federico Giannini, Georg Süss-Fink, and Julien Furrer pp 10552–10554 DOI: 10.1021/ic201941j Supporting Info

Ferromagnetic Exchange Couplings Showing a Chemical Trend in Cu–Ln–Cu Complexes (Ln = Gd, Tb, Dy, Ho, Er) Takashi Shimada, Atsushi Okazawa, Norimichi Kojima, Shunsuke Yoshii, Hiroyuki Nojiri, and Takayuki Ishida pp 10555–10557 DOI: 10.1021/ic201944s Supporting Info

l-Cysteine as a Chiral Linker in Lanthanide–Cucurbit[6]uril One-Dimensional Assemblies Pierre Thuéry pp 10558–10560 DOI: 10.1021/ic201965k Supporting Info

A Thiophosphinidene Complex as a Vehicle in Phosphinidene Transmetalation: Easy Formation and Cleavage of a P–S Bond Belén Alvarez, M. Angeles Alvarez, Inmaculada Amor, M. Esther García, and Miguel A. Ruiz pp 10561–10563 DOI: 10.1021/ic202058h Supporting Info

Water Oxidation by Mononuclear Ruthenium Complexes with TPA-Based Ligands Bhasker Radaram, Jeffrey A. Ivie, Wangkheimayum Marjit Singh, Rafal M. Grudzien, Joseph H. Reibenspies, Charles Edwin Webster, and Xuan Zhao pp 10564–10571 DOI: 10.1021/ic200050g Supporting Info

Insights into Dehydrogenative Coupling of Alcohols and Amines Catalyzed by a (PNN)–Ru(II) Hydride Complex: Unusual Metal–Ligand Cooperation Guixiang Zeng and Shuhua Li pp 10572–10580 DOI: 10.1021/ic200205e Supporting Info

Photochromic and Redox Properties of Bisterpyridine Ruthenium Complexes Based on Dimethyldihydropyrene Units as Bridging Ligands Neus Vilà, Guy Royal, Frédérique Loiseau, and Alain Deronzier pp 10581–10591 DOI: 10.1021/ic2003904

Remote Effects of Axial Ligand Substitution in Heterometallic Cr≡Cr···M Chains Michael Nippe, Yevgeniya Turov, and John F. Berry pp 10592–10599 DOI: 10.1021/ic2011309 Supporting Info

Gd(III) Chelates as NMR Probes of Protein–Protein Interactions. Case Study: Rubredoxin and Cytochrome c3 Rui M. Almeida, Carlos F. G. C. Geraldes, Sofia R. Pauleta, and José J. G. Moura pp 10600–10607 DOI: 10.1021/ic200858c Supporting Info

Mutifuntional GdPO4:Eu3+ Hollow Spheres: Synthesis and Magnetic and Luminescent Properties Lihui Zhang, Meili Yin, Hongpeng You, Mei Yang, Yanhua Song, and Yeju Huang pp 10608–10613 DOI: 10.1021/ic200867a Supporting Info

Interconversion between the Enantiomers of Chiral Five-Coordinate Me3Pt(IV) Complexes Runyu Tan and Datong Song pp 10614–10622 DOI: 10.1021/ic200889y Supporting Info

Influence of Electron Delocalization in Heterocyclic Core Systems on the Electrochemical Communication in 2,5-Di- and 2,3,4,5-Tetraferrocenyl Thiophenes, Furans, and Pyrroles Alexander Hildebrandt, Dieter Schaarschmidt, Ron Claus, and Heinrich Lang pp 10623–10632 DOI: 10.1021/ic200926z Supporting Info

Cooperative Spin Transition in the Two-Dimensional Coordination Polymer [Fe(4,4′-bipyridine)2(NCX)2]·4CHCl3 (X = S, Se) Christopher J. Adams, M. Carmen Muñoz, Rachel E. Waddington, and José Antonio Real pp 10633–10642 DOI: 10.1021/ic200932w Supporting Info

Density Functional Analysis of the Spin Exchange Interactions and Charge Order Patterns in the Layered Magnetic Oxides YBaM2O5 (M = Mn, Fe, Co) Yuemei Zhang and Myung-Hwan Whangbo pp 10643–10647 DOI: 10.1021/ic200963g Supporting Info

New Series of Triply Bridged Dinuclear Cu(II) Compounds: Synthesis, Crystal Structure, Magnetic Properties, and Theoretical Study Nanthawat Wannarit, Khatcharin Siriwong, Narongsak Chaichit, Sujittra Youngme, Ramon Costa, Ibério de P. R. Moreira, and Francesc Illas pp 10648–10659 DOI: 10.1021/ic200992z Supporting Info

Impact of Ligand Exchange in Hydrogen Production from Cobaloxime-Containing Photocatalytic Systems Theresa M. McCormick, Zhiji Han, David J. Weinberg, William W. Brennessel, Patrick L. Holland, and Richard Eisenberg pp 10660–10666 DOI: 10.1021/ic2010166 Supporting Info

Luminescent Ir(III) Complex Exclusively Made of Polypyridine Ligands Capable of Intercalating into Calf-Thymus DNA Sebastiano Campagna, Marco Cavazzini, Matteo Cusumano, Maria Letizia Di Pietro, Antonino Giannetto, Fausto Puntoriero, and Silvio Quici pp 10667–10672 DOI: 10.1021/ic2010437 Supporting Info

Synthesis, Characterization, and Cytotoxic Activity of Novel Potentially pH-Sensitive Nonclassical Platinum(II) Complexes Featuring 1,3-Dihydroxyacetone Oxime Ligands Yulia Yu. Scaffidi-Domianello, Anton A. Legin, Michael A. Jakupec, Vladimir B. Arion, Vadim Yu. Kukushkin, Markus Galanski, and Bernhard K. Keppler pp 10673–10681 DOI: 10.1021/ic2010612 Supporting Info

Thermochromic Luminescence of Copper Iodide Clusters: The Case of Phosphine Ligands Sandrine Perruchas, Cédric Tard, Xavier F. Le Goff, Alexandre Fargues, Alain Garcia, Samia Kahlal, Jean-Yves Saillard, Thierry Gacoin, and Jean-Pierre Boilot pp 10682–10692 DOI: 10.1021/ic201128a Supporting Info

Anion Binding in the C3v-Symmetric Cavity of a Protonated Tripodal Amine Receptor: Potentiometric and Single Crystal X-ray Studies Purnandhu Bose, I. Ravikumar, and Pradyut Ghosh pp 10693–10702 DOI: 10.1021/ic2011502 Supporting Info

Temperature and Pressure Evolution of the Crystal Structure of Ax(Fe1–ySe)2 (A = Cs, Rb, K) Studied by Synchrotron Powder Diffraction V. Svitlyk, D. Chernyshov, E. Pomjakushina, A. Krzton-Maziopa, K. Conder, V. Pomjakushin, and V. Dmitriev pp 10703–10708 DOI: 10.1021/ic201160y

Identification of a Single Light Atom within a Multinuclear Metal Cluster Using Valence-to-Core X-ray Emission Spectroscopy Mario Ulises Delgado-Jaime, Benjamin R. Dible, Karen P. Chiang, William W. Brennessel, Uwe Bergmann, Patrick L. Holland, and Serena DeBeer pp 10709–10717 DOI: 10.1021/ic201173j Supporting Info

Photo- and Electrochemical Redox Behavior of Cyclometalated Ru(II) Complexes Having a 3-Phenylbenzo[b][1,6]naphthyridine Ligand Sumanta Kumar Padhi and Koji Tanaka pp 10718–10723 DOI: 10.1021/ic201207x Supporting Info

Development of Bifunctional Stilbene Derivatives for Targeting and Modulating Metal-Amyloid-β Species Joseph J. Braymer, Jung-Suk Choi, Alaina S. DeToma, Chen Wang, Kisoo Nam, Jeffrey W. Kampf, Ayyalusamy Ramamoorthy, and Mi Hee Lim pp 10724–10734 DOI: 10.1021/ic2012205 Supporting Info

Crystal Structures of Au2 Complex and Au25 Nanocluster and Mechanistic Insight into the Conversion of Polydisperse Nanoparticles into Monodisperse Au25 Nanoclusters Huifeng Qian, William T. Eckenhoff, Mark E. Bier, Tomislav Pintauer, and Rongchao Jin pp 10735–10739 DOI: 10.1021/ic2012292 Supporting Info

Fluxionality of Hydrogen Ligands in Fe(H)2(H2)(PEtPh2)3 Nađa Došlić, Vjeran Gomzi, Momir Mališ, Ivana Matanović, and Juergen Eckert pp 10740–10747 DOI: 10.1021/ic201248z

Structural Studies Coupling X-ray Diffraction and High-Energy X-ray Scattering in the UO22+–HBraq System Richard E. Wilson, S. Skanthakumar, C. L. Cahill, and L. Soderholm pp 10748–10754 DOI: 10.1021/ic201265s Supporting Info

Crystal Structures, Lattice Potential Energies, and Thermochemical Properties of Crystalline Compounds (1-CnH2n+1NH3)2ZnCl4(s) (n = 8, 10, 12, and 13) Yupu Liu, Youying Di, Donghua He, Qian Zhou, and Jianmin Dou pp 10755–10764 DOI: 10.1021/ic2012974 Supporting Info

Synthesis, Structural Analysis, and Magnetic Properties of Ethylmalonate-Manganese(II) Complexes Mariadel Déniz, Jorge Pasán, Jesús Ferrando-Soria, Oscar Fabelo, Laura Cañadillas-Delgado, Consuelo Yuste, Miguel Julve, Joan Cano, and Catalina Ruiz-Pérez pp 10765–10776 DOI: 10.1021/ic201314k Supporting Info

End-to-End Azide-Bridged Manganese(III) Chain Compounds: Field-Induced Magnetic Phase Transitions and Variation of TC to 38 K Depending on the Side Groups of the Schiff Bases Jung Hee Yoon, Woo Ram Lee, Dae Won Ryu, Jin Wuk Lee, Sung Won Yoon, Byoung Jin Suh, Hyoung Chan Kim, and Chang Seop Hong pp 10777–10785 DOI: 10.1021/ic2013232 Supporting Info

Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands Irene Bassanetti and Luciano Marchiò pp 10786–10797 DOI: 10.1021/ic201338w Supporting Info

Behavior of Neutral Phosphido Derivatives of Platinum and Palladium toward Silver Centers Juan Forniés, Consuelo Fortuño, Susana Ibáñez, and Antonio Martín , Piero Mastrorilli and Vito Gallo pp 10798–10809 DOI: 10.1021/ic201354s Supporting Info

Flexible Diphosphine Ligands with Overall Charges of 0, +1, and +2: Critical Role of the Electrostatics in Favoring Trans over Cis Coordination Yves Canac, Nathalie Debono, Christine Lepetit, Carine Duhayon, and Remi Chauvin pp 10810–10819 DOI: 10.1021/ic201342z Supporting Info

Phase-Selective Synthesis of Nickel Phosphide in High-Boiling Solvent for All-Solid-State Lithium Secondary Batteries Keigo Aso, Akitoshi Hayashi, and Masahiro Tatsumisago pp 10820–10824 DOI: 10.1021/ic2013733

Self-Assembly and Redox Modulation of the Cavity Size of an Unusual Rectangular Iron Thiolate Aryldiisocyanide Metallocyclophane Pei-Chin Lin, Hsing-Yin Chen, Po-Yu Chen, Ming-Hsi Chiang, Michael Y. Chiang, Ting-Shen Kuo, and Sodio C. N. Hsu pp 10825–10834 DOI: 10.1021/ic201380k Supporting Info

New Hybrid Zirconium Aminophosphonates Containing Piperidine and Bipiperidine Groups Marco Taddei, Ferdinando Costantino, Valentina Manuali, and Riccardo Vivani pp 10835–10843 DOI: 10.1021/ic201381t Supporting Info

Structural Chemistry, Monoclinic-to-Orthorhombic Phase Transition, and CO2 Adsorption Behavior of the Small Pore Scandium Terephthalate, Sc2(O2CC6H4CO2)3, and Its Nitro- And Amino-Functionalized Derivatives John P. S. Mowat, Stuart R. Miller, John M. Griffin, Valerie R. Seymour, Sharon E. Ashbrook, Stephen P. Thompson, David Fairen-Jimenez, Ana-Maria Banu, Tina Düren, and Paul A. Wright pp 10844–10858 DOI: 10.1021/ic201387d Supporting Info

Excited-State Properties of Heteroleptic Iridium(III) Complexes Bearing Aromatic Hydrocarbons with Extended Cores Fabian Spaenig, Jean-Hubert Olivier, Valentina Prusakova, Pascal Retailleau, Raymond Ziessel, and Felix N. Castellano pp 10859–10871 DOI: 10.1021/ic201397v Supporting Info

1-D Selenidoindates {[In2Se5]}∞ Directed by Chiral Metal Complex Cations of 1,10-Phenanthroline Xu Zhang, Zhi-Xin Lei, Wen Luo, Wen-Qin Mu, Xiang Zhang, Qin-Yu Zhu, and Jie Dai pp 10872–10877 DOI: 10.1021/ic201404t Supporting Info

Reactivity Studies of a Disilene with N2O and Elemental Sulfur Shabana Khan, Reent Michel, Debasis Koley, Herbert W. Roesky, and Dietmar Stalke pp 10878–10883 DOI: 10.1021/ic201419m Supporting Info

Highly Active Ethylene Polymerization and Regioselective 1-Hexene Oligomerization Using Zirconium and Titanium Catalysts with Tridentate [ONO] Ligands Tieqi Xu, Jie Liu, Guang-Peng Wu, and Xiao-Bing Lu pp 10884–10892 DOI: 10.1021/ic2014286

Interactions of Cu(I) with Selenium-Containing Amino Acids Determined by NMR, XAS, and DFT Studies Hsiao C. Wang, Mindy Riahi, Joshua Pothen, Craig A. Bayse, Pamela Riggs-Gelasco, and Julia L. Brumaghim pp 10893–10900 DOI: 10.1021/ic201440j Supporting Info

Hole Tunneling and Hopping in a Ru(bpy)32+-Phenothiazine Dyad with a Bridge Derived from oligo-p-Phenylene Mathieu E. Walther and Oliver S. Wenger pp 10901–10907 DOI: 10.1021/ic201446x Supporting Info

Studies of a Series of [Ni(PR2NPh2)2(CH3CN)]2+ Complexes as Electrocatalysts for H2 Production: Substituent Variation at the Phosphorus Atom of the P2N2 Ligand Uriah J. Kilgore, Michael P. Stewart, Monte L. Helm, William G. Dougherty, W. Scott Kassel, Mary Rakowski DuBois, Daniel L. DuBois, and R. Morris Bullock pp 10908–10918 DOI: 10.1021/ic201461a Supporting Info

Spectroscopic and Electronic Structure Studies Probing Covalency Contributions to C–H Bond Activation and Transition-State Stabilization in Xanthine Oxidase Joseph Sempombe, Benjamin Stein, and Martin L. Kirk pp 10919–10928 DOI: 10.1021/ic201477n

Stabilization and Study of SrFe1–xMnxO2 Oxides with Infinite-Layer Structure María Retuerto, Félix Jiménez-Villacorta, María J. Martínez-Lope, María T. Fernández-Díaz, and José A. Alonso pp 10929–10936 DOI: 10.1021/ic201488w

Synthesis and Decarbonylation Reactions of the Triiron Phosphinidene Complex [Fe3Cp3(μ-H)(μ3-PPh)(CO)4]: Easy Cleavage and Formation of P–H and Fe–Fe Bonds Celedonio M. Alvarez, M. Angeles Alvarez, M. Esther García, Rocío González, Alberto Ramos, and Miguel A. Ruiz pp 10937–10948 DOI: 10.1021/ic201491v Supporting Info

Synthesis, Structure, and Bonding of Orthorhombic R5Au2Te2 (R = Lu, Ho, Dy, Y). Electronic Structure of the Binary Parent Valence Compound Eu5As4 Ping Chai and John D. Corbett pp 10949–10955 DOI: 10.1021/ic201492z Supporting Info

Iron(II) Vacataporphyrins: A Variable Annulene Conformation inside a Regular Porphyrin Frame Ewa Pacholska-Dudziak, Aneta Gaworek, and Lechosław Latos-Grażyński pp 10956–10965 DOI: 10.1021/ic2015176 Supporting Info

Polydentate Analogues of 8-Hydroxyquinoline and Their Complexes with Ruthenium Maya El Ojaimi and Randolph P. Thummel pp 10966–10973 DOI: 10.1021/ic201524j Supporting Info

Analysis of the Photomagnetic Properties of Cyano-Bridged Heterobimetallic Complexes by X-Ray Diffraction Helle Svendsen, Mads Ry Vogel Jørgensen, Jacob Overgaard, Yu-Sheng Chen, Guillaume Chastanet, Jean-François Létard, Kenichi Kato, Masaki Takata, and Bo B. Iversen pp 10974–10984 DOI: 10.1021/ic2015258 Supporting Info

Tris(triazolyl) Calix[6]arene-Based Zinc and Copper Funnel Complexes: Imidazole-like or Pyridine-like? A Comparative Study Benoit Colasson, Nicolas Le Poul, Yves Le Mest, and Olivia Reinaud pp 10985–10993 DOI: 10.1021/ic201540x Supporting Info

Zinc(II) Complexes with a Versatile Multitopic Tetrazolate-Based Ligand Showing Various Structures: Impact of Reaction Conditions on the Final Product Structures Tong-Liang Hu, Ying Tao, Ze Chang, and Xian-He Bu pp 10994–11003 DOI: 10.1021/ic2015463 Supporting Info

Fluoride-Conversion Synthesis of Homogeneous Actinide Oxide Solid Solutions G. W. Chinthaka Silva, John D. Hunn, Charles Yeamans, Gary S. Cerefice, and Ken R. Czerwinski pp 11004–11010 DOI: 10.1021/ic201552g

Formation and Reactivity of a Porphyrin Iridium Hydride in Water: Acid Dissociation Constants and Equilibrium Thermodynamics Relevant to Ir–H, Ir–OH, and Ir–CH2– Bond Dissociation Energetics Salome Bhagan and Bradford B. Wayland pp 11011–11020 DOI: 10.1021/ic201553k Supporting Info

Metal–Sulfur Valence Orbital Interaction Energies in Metal–Dithiolene Complexes: Determination of Charge and Overlap Interaction Energies by Comparison of Core and Valence Ionization Energy Shifts Nicholas J. Wiebelhaus, Matthew A. Cranswick, Eric L. Klein, L. Tori Lockett, Dennis L. Lichtenberger, and John H. Enemark pp 11021–11031 DOI: 10.1021/ic201566n Supporting Info

Solvent Induced Diverse Dimensional Coordination Assemblies of Cupric Benzotriazole-5-carboxylate: Syntheses, Crystal Structures, and Magnetic Properties Juan Xiao, Bao-Yu Liu, Gang Wei, and Xiao-Chun Huang pp 11032–11038 DOI: 10.1021/ic201571n Supporting Info

Dimethylaminoborane (H2BNMe2) Coordination to Late Transition Metal Centers: Snapshots of the B–H Oxidative Addition Process. Gaëtan Bénac-Lestrille, Ulrike Helmstedt, Laure Vendier, Gilles Alcaraz, Eric Clot, and Sylviane Sabo-Etienne pp 11039–11045 DOI: 10.1021/ic201573q Supporting Info

Drastic Change of the Ferromagnetic Properties of the Ternary Germanide GdTiGe through Hydrogen Insertion Etienne Gaudin, Samir F. Matar, Rainer Pöttgen, Matthias Eul, and Bernard Chevalier pp 11046–11054 DOI: 10.1021/ic201579r

An Interpenetrated Metal–Organic Framework and Its Gas Storage Behavior: Simulation and Experiment Daniela Frahm, Michael Fischer, Frank Hoffmann, and Michael Fröba pp 11055–11063 DOI: 10.1021/ic201596x Supporting Info

Extended Utility of Molten-Salt Chemistry: Unprecedented Synthesis of a Water-Soluble Salt-Inclusion Solid Comprised of High-Nuclearity Vanadium Oxide Clusters Wendy L. Queen, J. Palmer West, Joan Hudson, and Shiou-Jyh Hwu pp 11064–11068 DOI: 10.1021/ic201605w Supporting Info

pH-Sensitive Gold Nanoparticle Catalysts for the Aerobic Oxidation of Alcohols Yuan Yuan, Ning Yan, and Paul J. Dyson pp 11069–11074 DOI: 10.1021/ic201608j Supporting Info

Magnetic Anisotropy in NiII–YIII Binuclear Complexes: On the Importance of Both the First Coordination Sphere of the NiII Ion and the YIII Ion Belonging to the Second Coordination Sphere Rémi Maurice, Laure Vendier, and Jean-Pierre Costes pp 11075–11081 DOI: 10.1021/ic201623e Supporting Info

Cubane-Type Fe4S4 Clusters with Chiral Thiolate Ligation: Formation by Ligand Substitution, Detection of Intermediates by 1H NMR, and Solid State Structures Including Spontaneous Resolution Upon Crystallization Wayne Lo, Shaw Huang, Shao-Liang Zheng, and R. H. Holm pp 11082–11090 DOI: 10.1021/ic2016269 Supporting Info

Exploratory Syntheses and Structures of SrAu4.3In1.7 and CaAg3.5In1.9: Electron-Poor Intermetallics with Diversified Polyanionic Frameworks That Are Derived from the CaAu4In2 Approximant Qisheng Lin and John D. Corbett pp 11091–11098 DOI: 10.1021/ic2016275 Supporting Info

Titanocene–Phosphine Derivatives as Precursors to Cytotoxic Heterometallic TiAu2 and TiM (M = Pd, Pt) Compounds. Studies of Their Interactions with DNA Jose F. González-Pantoja, Michael Stern, Andrzej A. Jarzecki, Eva Royo, Elisa Robles-Escajeda, Armando Varela-Ramírez, Renato J. Aguilera, and María Contel pp 11099–11110 DOI: 10.1021/ic201647h Supporting Info

The Unique bis-(Disulfato)-aurate Anion [Au(S2O7)2]−: Synthesis and Characterization of Li[Au(S2O7)2] and Na[Au(S2O7)2] Christian Logemann and Mathias S. Wickleder pp 11111–11116 DOI: 10.1021/ic201671w Supporting Info

How To Explain the Difficulties in the Coffinite Synthesis from the Study of Uranothorite? D. T. Costin, A. Mesbah, N. Clavier, N. Dacheux, C. Poinssot, S. Szenknect, and J. Ravaux pp 11117–11126 DOI: 10.1021/ic2016758 Supporting Info

Structure and Properties of Single Crystalline CaMg2Bi2, EuMg2Bi2, and YbMg2Bi2 Andrew F. May, Michael A. McGuire, David J. Singh, Radu Custelcean, and Gerald E. Jellison, Jr. pp 11127–11133 DOI: 10.1021/ic2016808 Supporting Info

Electronic Structure of Oxidized Complexes Derived from cis-[RuII(bpy)2(H2O)2]2+ and Its Photoisomerization Mechanism Nora Planas, Laura Vigara, Clyde Cady, Pere Miró, Ping Huang, Leif Hammarström, Stenbjörn Styring, Nils Leidel, Holger Dau, Michael Haumann, Laura Gagliardi, Christopher J. Cramer, and Antoni Llobet pp 11134–11142 DOI: 10.1021/ic201686c Supporting Info

Theoretical Analysis of Spin Crossover in Iron(II) [2 × 2] Molecular Grids Ekaterina M. Zueva, Elmira R. Ryabikh, and Serguei A. Borshch pp 11143–11151 DOI: 10.1021/ic2016929 Supporting Info

Ternary Rare-Earth Arsenides REZn3As3 (RE = La–Nd, Sm) and RECd3As3 (RE = La–Pr) Stanislav S. Stoyko and Arthur Mar pp 11152–11161 DOI: 10.1021/ic201708x Supporting Info

Synthesis and Structural Characterization of Some New Porphyrin-Fullerene Dyads and Their Application in Photoinduced H2 Evolution Li-Cheng Song, Xu-Feng Liu, Zhao-Jun Xie, Fei-Xian Luo, and Hai-Bin Song pp 11162–11172 DOI: 10.1021/ic201713x Supporting Info

Synthesis, Antimicrobial and Antiproliferative Activity of Novel Silver(I) Tris(pyrazolyl)methanesulfonate and 1,3,5-Triaza-7-phosphadamantane Complexes Claudio Pettinari, Fabio Marchetti, Giulio Lupidi, Luana Quassinti, Massimo Bramucci, Dezemona Petrelli, Luca A. Vitali, M. Fátima C. Guedes da Silva, Luísa M. D. R. S. Martins, Piotr Smoleński, and Armando J. L. Pombeiro pp 11173–11183 DOI: 10.1021/ic201714c Supporting Info

Synthesis, Characterization, and Spectroscopic Characteristics of Chromium(6+) and -(4+) Silicalite-2 (ZSM-11) Materials Adrian Lita, Yuchuan Tao, Xisai Ma, Lambertus van de Burgt, and A. E. Stiegman pp 11184–11191 DOI: 10.1021/ic2017352 Supporting Info

pH-Dependent Cu(II) Coordination to Amyloid-β Peptide: Impact of Sequence Alterations, Including the H6R and D7N Familial Mutations. Bruno Alies, Hélène Eury, Christian Bijani, Lionel Rechignat, Peter Faller, and Christelle Hureau pp 11192–11201 DOI: 10.1021/ic201739n Supporting Info

Divalent Metal Vinylphosphonate Layered Materials: Compositional Variability, Structural Peculiarities, Dehydration Behavior, and Photoluminescent Properties Rosario M. P. Colodrero, Aurelio Cabeza, Pascual Olivera-Pastor, Duane Choquesillo-Lazarte, Juan M. Garcia-Ruiz, Adele Turner, Gheorghe Ilia, Bianca Maranescu, Konstantinos E. Papathanasiou, Gary B. Hix, Konstantinos D. Demadis, and Miguel A. G. Aranda pp 11202–11211 DOI: 10.1021/ic201760w Supporting Info

New Cyclopentenyl-Linked [NPN] Ligands and Their Coordination Chemistry with Zirconium: Synthesis of a Dinuclear Side-On-Bound Dinitrogen Complex Ting Zhu, Truman C. Wambach, and Michael D. Fryzuk pp 11212–11221 DOI: 10.1021/ic201762r Supporting Info

Structure and Bonding of KSiH3 and Its 18-Crown-6 Derivatives: Unusual Ambidentate Behavior of the SiH3– Anion David J. Wolstenholme, Paul D. Prince, G. Sean McGrady, Michael J. Landry, and Jonathan W. Steed pp 11222–11227 DOI: 10.1021/ic201774x Supporting Info

Luminescent Copper(I) Halide Adducts of [Au(im(CH2py)2)2]PF6 Exhibiting Short Au(I)···Cu(I) Separations and Unusual Semibridging NHC Ligands Christoph E. Strasser and Vincent J. Catalano pp 11228–11234 DOI: 10.1021/ic201795b Supporting Info

Synthesis and Characterization of the Phosphorus Triazides OP(N3)3 and SP(N3)3 Xiaoqing Zeng, Eduard Bernhardt, Helmut Beckers, and Helge Willner pp 11235–11241 DOI: 10.1021/ic201802x Supporting Info

Specific Incorporation of Chalcogenide Bridge Atoms in Molybdenum/Tungsten-Iron-Sulfur Single Cubane Clusters Amit Majumdar and R. H. Holm pp 11242–11251 DOI: 10.1021/ic2018117 Supporting Info

Theoretical Analysis of Mechanistic Pathways for Hydrogen Evolution Catalyzed by Cobaloximes Brian H. Solis and Sharon Hammes-Schiffer pp 11252–11262 DOI: 10.1021/ic201842v Supporting Info

Preparation and X-ray Crystal Study of Benziodoxaborole Derivatives: New Hypervalent Iodine Heterocycles Victor N. Nemykin, Andrey V. Maskaev, Margarita R. Geraskina, Mekhman S. Yusubov, and Viktor V. Zhdankin pp 11263–11272 DOI: 10.1021/ic201922n Supporting Info

Issue 22

Photocatalytic Splitting of CS2 to S8 and a Carbon–Sulfur Polymer Catalyzed by a Bimetallic Ruthenium(II) Compound with a Tertiary Amine Binding Site: Toward Photocatalytic Splitting of CO2? Konstantin Livanov, Vedichi Madhu, Ekambaram Balaraman, Linda J. W. Shimon, Yael Diskin-Posner, and Ronny Neumann pp 11273–11275 DOI: 10.1021/ic2008045 Supporting Info

A New Family of Nonanuclear Lanthanide Clusters Displaying Magnetic and Optical Properties Dimitris I. Alexandropoulos, Shreya Mukherjee, Constantina Papatriantafyllopoulou, Catherine P. Raptopoulou, Vassilis Psycharis, Vlasoula Bekiari, George Christou, and Theocharis C. Stamatatos pp 11276–11278 DOI: 10.1021/ic2013683 Supporting Info

Very Long-Distance Magnetic Coupling in a Dicopper(II) Metallacyclophane with Extended π-Conjugated Diphenylethyne Bridges Marı́a Castellano, Francisco R. Fortea-Pérez, Salah-Eddine Stiriba, Miguel Julve, Francesc Lloret, Donatella Armentano, Giovanni De Munno, Rafael Ruiz-Garcı́a, and Joan Cano pp 11279–11281 DOI: 10.1021/ic201472b Supporting Info

Highly Selective Colorimetric Chemosensor for Co2+ Debabrata Maity and T. Govindaraju pp 11282–11284 DOI: 10.1021/ic2015447 Supporting Info

A Five-Coordinate Phosphino/Acetate Iron(II) Scaffold That Binds N2, N2H2, N2H4, and NH3 in the Sixth Site Caroline T. Saouma, Curtis E. Moore, Arnold L. Rheingold, and Jonas C. Peters pp 11285–11287 DOI: 10.1021/ic2016066 Supporting Info

Formation of a Reversible, Intramolecular Main-Group Metal–CO2 Adduct Diane A. Dickie, Eric N. Coker, and Richard A. Kemp pp 11288–11290 DOI: 10.1021/ic201697g Supporting Info

Pressure-Induced Disordered Substitution Alloy in Sb2Te3 Jinggeng Zhao, Haozhe Liu, Lars Ehm, Zhiqiang Chen, Stanislav Sinogeikin, Yusheng Zhao, and Genda Gu pp 11291–11293 DOI: 10.1021/ic201731k Supporting Info

Palladium(II) and Platinum(II) Bind Strongly to an Engineered Blue Copper Protein Matthew P. McLaughlin, Thomas H. Darrah, and Patrick L. Holland pp 11294–11296 DOI: 10.1021/ic2017648 Supporting Info

A Highly Porous Interpenetrated Metal–Organic Framework from the Use of a Novel Nanosized Organic Linker Manolis J. Manos, Marios S. Markoulides, Christos D. Malliakas, Giannis S. Papaefstathiou, Nikos Chronakis, Mercouri G. Kanatzidis, Pantelis N. Trikalitis, and Anastasios J. Tasiopoulos pp 11297–11299 DOI: 10.1021/ic201919q Supporting Info

Cationic Ethylzinc Compound: A Benzene Complex with Catalytic Activity in Hydroamination and Hydrosilylation Reactions Rudolf J. Wehmschulte and Lukasz Wojtas pp 11300–11302 DOI: 10.1021/ic201921d Supporting Info

A Hydrogen Bond Motif Giving a Variety of Supramolecular Assembly Structures and Spin-Crossover Behaviors Koshiro Nishi, Naohide Matsumoto, Seiichiro Iijima, Malcolm A. Halcrow, Yukinari Sunatsuki, and Masaaki Kojima pp 11303–11305 DOI: 10.1021/ic201993z Supporting Info

Cyanide-Bridged WVMnIII Single-Chain Magnet with Isolated MnIII Moieties Exhibiting Two Types of Relaxation Dynamics Jung Hee Yoon, Jin Wuk Lee, Dae Won Ryu, Sang Yup Choi, Sung Won Yoon, Byoung Jin Suh, Eui Kwan Koh, Hyoung Chan Kim, and Chang Seop Hong pp 11306–11308 DOI: 10.1021/ic202100y Supporting Info

New Heteroleptic Bis-Phenanthroline Copper(I) Complexes with Dipyridophenazine or Imidazole Fused Phenanthroline Ligands: Spectral, Electrochemical, and Quantum Chemical Studies Yann Pellegrin, Martina Sandroni, Errol Blart, Aurélien Planchat, Michel Evain, Narayan C. Bera, Megumi Kayanuma, Michel Sliwa, Mateusz Rebarz, Olivier Poizat, Chantal Daniel, and Fabrice Odobel pp 11309–11322 DOI: 10.1021/ic2006343 Supporting Info

d → f Energy Transfer in a Series of IrIII/EuIII Dyads: Energy-Transfer Mechanisms and White-Light Emission Daniel Sykes, Ian S. Tidmarsh, Andrea Barbieri, Igor V. Sazanovich, Julia A. Weinstein, and Michael D. Ward pp 11323–11339 DOI: 10.1021/ic2007759 Supporting Info

A New Class of Cyclometalated Ruthenium Sensitizers of the Type ĈN̂N for Efficient Dye-Sensitized Solar Cells Jeum-Jong Kim, Hyunbong Choi, Sanghyun Paek, Chulwoo Kim, Kimin Lim, Myung-Jong Ju, Hong Seok Kang, Moon-Sung Kang, and Jaejung Ko pp 11340–11347 DOI: 10.1021/ic200872a Supporting Info

Single Molecule Magnet Behavior of a Pentanuclear Mn-Based Metallacrown Complex: Solid State and Solution Magnetic Studies Curtis M. Zaleski, Simon Tricard, Ezra C. Depperman, Wolfgang Wernsdorfer, Talal Mallah, Martin L. Kirk, and Vincent L. Pecoraro pp 11348–11352 DOI: 10.1021/ic2008792 Supporting Info

Intrinsically Fluorescent Glycoligands To Study Metal Selectivity Ludivine Garcia, Stéphane Maisonneuve, Jennifer Oudinet-Sin Marcu, Régis Guillot, François Lambert, Juan Xie, and Clotilde Policar pp 11353–11362 DOI: 10.1021/ic200897v Supporting Info

Chirality and Diastereoselection of Δ/Λ-Configured Tetrahedral Zinc Complexes through Enantiopure Schiff Base Complexes: Combined Vibrational Circular Dichroism, Density Functional Theory, 1H NMR, and X-ray Structural Studies Anne-Christine Chamayou, Steffen Lüdeke, Volker Brecht, Teresa B. Freedman, Laurence A. Nafie, and Christoph Janiak pp 11363–11374 DOI: 10.1021/ic2009557 Supporting Info

Copper(II)-Mediated Oxidative Transformation of vic-Dioxime to Furoxan: Evidence for a Copper(II)-Dinitrosoalkene Intermediate Oindrila Das, Sayantan Paria, Ennio Zangrando, and Tapan Kanti Paine pp 11375–11383 DOI: 10.1021/ic200979q Supporting Info

Interaction of Ferrocene Moieties Across a Square Pt4 Unit: Synthesis, Characterization, and Electrochemical Properties of Carboxylate-Bridged Bimetallic Pt4Fen (n = 2, 3, and 4) Complexes Shinji Tanaka and Kazushi Mashima pp 11384–11393 DOI: 10.1021/ic201012m Supporting Info

A Model of Spin Crossover in Manganese(III) Compounds: Effects of Intra- and Intercenter Interactions Sophia I. Klokishner, Marianna A. Roman, and Oleg S. Reu pp 11394–11402 DOI: 10.1021/ic201025u

PH-Controlled Construction of Cu(I) Coordination Polymers: In Situ Transformation of Ligand, Network Topologies, and Luminescence and UV–vis-NIR Absorption Properties Zhen-Lan Fang, Jian-Gang He, Qi-Sheng Zhang, Qi-Kai Zhang, Xiao-Yuan Wu, Rong-Min Yu, and Can-Zhong Lu pp 11403–11411 DOI: 10.1021/ic2011666 Supporting Info

Dissolution Thermochemistry of Alkali Metal Dianion Salts (M2X1, M = Li+, Na+, and K+ with X = CO32–, SO42–, C8H82–, and B12H122–) Tae Bum Lee and Michael L. McKee pp 11412–11422 DOI: 10.1021/ic201176s Supporting Info

A Unique Dinuclear Mixed V(V) Oxo-peroxo Complex in the Structural Speciation of the Ternary V(V)-Peroxo-citrate System. Potential Mechanistic and Structural Insight into the Aqueous Synthetic Chemistry of Dinuclear V(V)-Citrate Species with H2O2 M. Kaliva, C. Gabriel, C. P. Raptopoulou, A. Terzis, G. Voyiatzis, M. Zervou, C. Mateescu, and A. Salifoglou pp 11423–11436 DOI: 10.1021/ic201204s Supporting Info

DNA Cleavage by the Photocontrolled Cooperation of ZnII Centers in an Azobenzene-Linked Dizinc Complex Anangamohan Panja, Takashi Matsuo, Satoshi Nagao, and Shun Hirota pp 11437–11445 DOI: 10.1021/ic201244y Supporting Info

Long-Lived Room Temperature Deep-Red/Near-IR Emissive Intraligand Triplet Excited State (3IL) of Naphthalimide in Cyclometalated Platinum(II) Complexes and Its Application in Upconversion Wenting Wu, Huimin Guo, Wanhua Wu, Shaomin Ji, and Jianzhang Zhao pp 11446–11460 DOI: 10.1021/ic201254w Supporting Info

Exchange Interactions Through π–π Stacking in the Lamellar Compound [{Cu(bipy)(en)}{Cu(bipy)(H2O)}{VO3}4]n Diego Venegas-Yazigi, Kareen A. Brown, Andrés Vega, Rafael Calvo, Carolina Aliaga, Ricardo C. Santana, Raul Cardoso-Gil, Rüdiger Kniep, Walter Schnelle, and Evgenia Spodine pp 11461–11471 DOI: 10.1021/ic201278a Supporting Info

Reactivity of TCNE or TCNQ Derivatives of Quinonoid Zwitterions: Platinum-Induced HCN Elimination vs Oxidative-Addition Thomas Kauf and Pierre Braunstein pp 11472–11480 DOI: 10.1021/ic2013045 Supporting Info

Polymeric Structure of Oxalato-Bridged Complexes of Tetravalent Actinides Th, U, Np and Pu Grigory Andreev, Nina Budantseva, Aleksander Fedoseev, and Philippe Moisy pp 11481–11486 DOI: 10.1021/ic201313g Supporting Info

Effect of Alkali-Metal Ions on the Local Structure and Luminescence for Double Tungstate Compounds AEu(WO4)2 (A = Li, Na, K) Jinping Huang, Jun Xu, Hongshan Luo, Xibin Yu, and Yikang Li pp 11487–11492 DOI: 10.1021/ic2013528 Supporting Info

Singlet and Triplet Energy Transfers in Tetra-(meso-truxene)zinc(II)- and Tetra-(meso-tritruxene)zinc(II) Porphyrin and Porphyrin-Free Base Dendrimers Bin Du, Daniel Fortin, and Pierre D. Harvey pp 11493–11505 DOI: 10.1021/ic2013667 Supporting Info

Pro-porous Coordination Polymers of the 1,4-Bis((3,5-dimethyl-1H-pyrazol-4-yl)-methyl)benzene Ligand with Late Transition Metals Aurel Tăbăcaru, Claudio Pettinari, Norberto Masciocchi, Simona Galli, Fabio Marchetti, and Mariglen Angjellari pp 11506–11513 DOI: 10.1021/ic2013705 Supporting Info

Enhanced Luminescent Iridium(III) Complexes Bearing Aryltriazole Cyclometallated Ligands Sébastien Ladouceur, Daniel Fortin, and Eli Zysman-Colman pp 11514–11526 DOI: 10.1021/ic2014013 Supporting Info

Serine-Based Homochiral Nanoporous Frameworks for Selective CO2 Uptake Yan-Xi Tan, Yan-Ping He, and Jian Zhang pp 11527–11531 DOI: 10.1021/ic201442u Supporting Info

Synthesis, Crystal Structure, Spectroscopic, Magnetic, Theoretical, and Microbiological Studies of a Nickel(II) Complex of l-Tyrosine and Imidazole, [Ni(Im)2(l-tyr)2]·4H2O Agnieszka Wojciechowska, Marek Daszkiewicz, Zbigniew Staszak, Agnieszka Trusz-Zdybek, Alina Bieńko, and Andrzej Ozarowski pp 11532–11542 DOI: 10.1021/ic201471f Supporting Info

Ligand Adducts of Bis(acetylacetonato)iron(II): A 1H NMR Study Zhigang Xue, Jean-Claude Daran, Yohan Champouret, and Rinaldo Poli pp 11543–11551 DOI: 10.1021/ic201486v Supporting Info

Polyoxomolybdate Promoted Hydrolysis of a DNA-Model Phosphoester Studied by NMR and EXAFS Spectroscopy Gregory Absillis, Rik Van Deun, and Tatjana N. Parac-Vogt pp 11552–11560 DOI: 10.1021/ic201498u

Application of Ionic Liquids Containing Tricyanomethanide [C(CN)3]− or Tetracyanoborate [B(CN)4]− Anions in Dye-Sensitized Solar Cells Magdalena Marszalek, Zhaofu Fei, Dun-Ru Zhu, Rosario Scopelliti, Paul J. Dyson, Shaik Mohammed Zakeeruddin, and Michael Grätzel pp 11561–11567 DOI: 10.1021/ic201513m Supporting Info

11B NMR Sensing of d-Block Metal Ions in Vitro and in Cells Based on the Carbon–Boron Bond Cleavage of Phenylboronic Acid-Pendant Cyclen (Cyclen = 1,4,7,10-Tetraazacyclododecane) Masanori Kitamura, Toshihiro Suzuki, Ryo Abe, Takeru Ueno, and Shin Aoki pp 11568–11580 DOI: 10.1021/ic201507q Supporting Info

Tetradentate vs Pentadentate Coordination in Copper(II) Complexes of Pyridylbis(aminophenol) Ligands Depends on Nucleophilicity of Phenol Donors Rajendra Shakya, Zhaodong Wang, Douglas R. Powell, and Robert P. Houser pp 11581–11591 DOI: 10.1021/ic201536c Supporting Info

Congested Ferrocenyl Polyphosphanes Bearing Electron-Donating or Electron-Withdrawing Phosphanyl Groups: Assessment of Metallocene Conformation from NMR Spin Couplings and Use in Palladium-Catalyzed Chloroarenes Activation Sophal Mom, Matthieu Beaupérin, David Roy, Sylviane Royer, Régine Amardeil, Hélène Cattey, Henri Doucet, and J.-C. Hierso pp 11592–11603 DOI: 10.1021/ic2015379 Supporting Info

Defect-Dicubane Ni2Ln2 (Ln = Dy, Tb) Single Molecule Magnets Kartik Chandra Mondal, George E. Kostakis, Yanhua Lan, Wolfgang Wernsdorfer, Christopher E. Anson, and Annie K. Powell pp 11604–11611 DOI: 10.1021/ic2015397 Supporting Info

Scandium Ion-Enhanced Oxidative Dimerization and N-Demethylation of N,N-Dimethylanilines by a Non-Heme Iron(IV)-Oxo Complex Jiyun Park, Yuma Morimoto, Yong-Min Lee, Youngmin You, Wonwoo Nam, and Shunichi Fukuzumi pp 11612–11622 DOI: 10.1021/ic201545a Supporting Info

Advances in the Chemistry of Nanosized Zirconium Phosphates: A New Mild and Quick Route to the Synthesis of Nanocrystals Monica Pica, Anna Donnadio, Donatella Capitani, Riccardo Vivani, Elisabetta Troni, and Mario Casciola pp 11623–11630 DOI: 10.1021/ic2015594

Synthesis of New Compound Gd5Ni19 with a Superlattice Structure and Hydrogen Absorption Properties Kenji Iwase, Kazuhiro Mori, Akinori Hoshikawa, and Toru Ishigaki pp 11631–11635 DOI: 10.1021/ic201569m

Ruthenium Complexes Containing 2-(2-Nitrosoaryl)pyridine: Structural, Spectroscopic, and Theoretical Studies Siu-Chung Chan, Ho-Yuen Cheung, and Chun-Yuen Wong pp 11636–11643 DOI: 10.1021/ic201570d Supporting Info

Ce(IV) Complexes with Donor-Functionalized Alkoxide Ligands: Improved Precursors for Chemical Vapor Deposition of CeO2 Helen C. Aspinall, John Bacsa, Anthony C. Jones, and Jacqueline S. Wrench , Kate Black, Paul R. Chalker, Peter J. King, Paul Marshall, and Matthew Werner , Hywel O. Davies and Rajesh Odedra pp 11644–11652 DOI: 10.1021/ic201593s Supporting Info

Allylpalladium Dimers with Metals Connected by Binucleating Dithiooxamidates in Two Different Coordination Modes: Solution Behavior and Solid-State Structure Santo Lanza, Francesco Nicolò, Hadi Amiri Rudbari, Maria Rosaria Plutino, and Giuseppe Bruno pp 11653–11666 DOI: 10.1021/ic201616s

Polyoxomolybdodiphosphonates: Examples Incorporating Ethylidenepyridines Abhishek Banerjee, Farah S. Raad, Nina Vankova, Bassem S. Bassil, Thomas Heine, and Ulrich Kortz pp 11667–11675 DOI: 10.1021/ic201652h Supporting Info

Synthesis of Ternary and Quaternary Graphite Intercalation Compounds Containing Alkali Metal Cations and Diamines Tosapol Maluangnont, Michael M. Lerner, and Kazuma Gotoh pp 11676–11682 DOI: 10.1021/ic201661y

[(Ph)3PBr][Br7], [(Bz)(Ph)3P]2[Br8], [(n-Bu)3MeN]2[Br20], [C4MPyr]2[Br20], and [(Ph)3PCl]2[Cl2I14]: Extending the Horizon of Polyhalides via Synthesis in Ionic Liquids Michael Wolff, Alexander Okrut, and Claus Feldmann pp 11683–11694 DOI: 10.1021/ic201291k Supporting Info

Metal-Centered Deltahedral Zintl Ions: Synthesis of [Ni@Sn9]4– by Direct Extraction from Intermetallic Precursors and of the Vertex-Fused Dimer [{Ni@Sn8(μ-Ge)1/2}2]4– Miriam M. Gillett-Kunnath, Joseph I. Paik, Sara M. Jensen, Jacob D. Taylor, and Slavi C. Sevov pp 11695–11701 DOI: 10.1021/ic2016963 Supporting Info

Multiparametric Dissolution of Thorium–Cerium Dioxide Solid Solutions Laurent Claparede, Nicolas Clavier, Nicolas Dacheux, Adel Mesbah, Julien Martinez, Stéphanie Szenknect, and Philippe Moisy pp 11702–11714 DOI: 10.1021/ic201699t Supporting Info

Organometallic 3-(1H-Benzimidazol-2-yl)-1H-pyrazolo[3,4-b]pyridines as Potential Anticancer Agents Iryna N. Stepanenko, Maria S. Novak, Gerhard Mühlgassner, Alexander Roller, Michaela Hejl, Vladimir B. Arion, Michael A. Jakupec, and Bernhard K. Keppler pp 11715–11728 DOI: 10.1021/ic201704u Supporting Info

Highly Efficient DNA Compaction Mediated by an In Vivo Antitumor-Active Tetrazolato-Bridged Dinuclear Platinum(II) Complex Yuko Yoshikawa, Seiji Komeda, Masako Uemura, Toshio Kanbe, Masahiko Chikuma, Kenichi Yoshikawa, and Tadayuki Imanaka pp 11729–11735 DOI: 10.1021/ic2017165

Self-Assembly of Metallamacrocycles Using a Dinuclear Organometallic Acceptor: Synthesis, Characterization, and Sensing Study Sankarasekaran Shanmugaraju, Sachin A. Joshi, and Partha Sarathi Mukherjee pp 11736–11745 DOI: 10.1021/ic201745y Supporting Info

Late-Metal Nitrosyl Cations: Synthesis and Reactivity of [Ni(NO)(MeNO2)3][PF6] Ashley M. Wright, Guang Wu, and Trevor W. Hayton pp 11746–11753 DOI: 10.1021/ic201821t Supporting Info

Zinc Paddlewheel Dimers Containing a Strong π···π Stacking Supramolecular Synthon: Designed Single-Crystal to Single-Crystal Phase Changes and Gas/Solid Guest Exchange Daniel L. Reger, Agota Debreczeni, and Mark D. Smith pp 11754–11764 DOI: 10.1021/ic201830h Supporting Info

Rare Examples of Fluoride-Based Multiferroic Materials in Mn-substituted BaMgF4 Systems: Experimental and Theoretical Studies Farheen N. Sayed, B. P. Mandal, O. D. Jayakumar, A. Arya, R. M. Kadam, A. Dixit, R. Naik, and A. K. Tyagi pp 11765–11772 DOI: 10.1021/ic201835q Supporting Info

High-Temperature, High-Pressure Hydrothermal Synthesis and Characterization of an Open-Framework Uranyl Silicate with Nine-Ring Channels: Cs2UO2Si10O22 Hsin-Kuan Liu, Wen-Jung Chang, and Kwang-Hwa Lii pp 11773–11776 DOI: 10.1021/ic201857e Supporting Info

Electronic Structure of a Low-Spin Heme/Cu Peroxide Complex: Spin-State and Spin-Topology Contributions to Reactivity Matthew T. Kieber-Emmons, Yuqi Li, Zakaria Halime, Kenneth D. Karlin, and Edward I. Solomon pp 11777–11786 DOI: 10.1021/ic2018727 Supporting Info

B1-to-B2 Structural Transitions in Rock Salt Intergrowth Structures Takafumi Yamamoto, Yoji Kobayashi, Taku Okada, Takehiko Yagi, Takateru Kawakami, Cédric Tassel, Shota Kawasaki, Naoyuki Abe, Ken Niwa, Takumi Kikegawa, Naohisa Hirao, Mikio Takano, and Hiroshi Kageyama pp 11787–11794 DOI: 10.1021/ic201901a Supporting Info

CO-Induced Formation of an Interpenetrating Bicuboctahedral Au2Pd18 Kernel in Nanosized Au2Pd28(CO)26(PEt3)10: Formal Replacement of an Interior (μ12-Pd)2 Fragment in the Corresponding Known Isostructural Homopalladium Pd30(CO)26(PEt3)10 with Nonisovalent (μ12-Au)2 and Resulting Experimental/Theoretical Implications Evgueni G. Mednikov, Sergei A. Ivanov, and Lawrence F. Dahl pp 11795–11806 DOI: 10.1021/ic201923y Supporting Info

Wet Chemical Synthesis and a Combined X-ray and Mössbauer Study of the Formation of FeSb2 Nanoparticles Christina S. Birkel, Gregor Kieslich, Dimitrios Bessas, Tania Claudio, Robert Branscheid, Ute Kolb, Martin Panthöfer, Raphaël P. Hermann, and Wolfgang Tremel pp 11807–11812 DOI: 10.1021/ic201940r Supporting Info

Synthesis, Structures, and Reactivity of Yttrium Alkyl and Alkynyl Complexes with Mixed TpMe2/Cp Ligands Weiyin Yi, Jie Zhang, Meng Li, Zhenxia Chen, and Xigeng Zhou pp 11813–11824 DOI: 10.1021/ic2019499 Supporting Info

Hydrothermal Descriptive Chemistry and Single Crystal Structure Determination of Cesium and Rubidium Thorium Fluorides Christopher C. Underwood, Matthew Mann, Colin D. McMillen, and Joseph W. Kolis pp 11825–11831 DOI: 10.1021/ic2019555 Supporting Info

Effect of Chain Length on Thermal Conversion of Alkoxy-Substituted Copper Phthalocyanine Precursors Takamitsu Fukuda, Yuu Kikukawa, Ryota Tsuruya, Akira Fuyuhiro, Naoto Ishikawa, and Nagao Kobayashi pp 11832–11837 DOI: 10.1021/ic202054t Supporting Info

Magnetostructural D Correlations in Hexacoordinated Cobalt(II) Complexes Ján Titiš and Roman Boča pp 11838–11845 DOI: 10.1021/ic202108j Supporting Info

Correction to On the Formation of “Hypercoordinated” Uranyl Complexes George Schoendorff, Wibe A. de Jong, Michael J. Van Stipdonk, John K. Gibson, Daniel Rios, Mark S. Gordon, and Theresa L. Windus pp 11846–11846 DOI: 10.1021/ic202173r Errata - link to original article

Issue 23

In Vitro and in Vivo Fluorescent Imaging of a Monofunctional Chelated Platinum Complex Excitable Using Visible Light Shengde Wu, Chengcheng Zhu, Changli Zhang, Zhen Yu, Weijiang He, Yafeng He, Yizhi Li, Jing Wang, and Zijian Guo pp 11847–11849 DOI: 10.1021/ic201506y Supporting Info

Flash and Continuous Photolysis Kinetic Studies of the Iron–Iron Hydrogenase Model (μ-pdt)[Fe(CO)3]2 in Different Solvents Jon Marhenke, Agustin E. Pierri, Melanie Lomotan, Peter L. Damon, Peter C. Ford, and Carmen Works pp 11850–11852 DOI: 10.1021/ic201523r Supporting Info

Synthesis and Characterization of a 1-D Porous Barium Carboxylate Coordination Polymer, [Ba(HBTB)] (H3BTB = Benzene-1,3,5-trisbenzoic Acid) Maw Lin Foo, Satoshi Horike, and Susumu Kitagawa pp 11853–11855 DOI: 10.1021/ic201814g Supporting Info

Lithium Aluminates on a Molecular Titanium Oxide Alberto Hernán-Gómez, Avelino Martı́n, Miguel Mena, and Cristina Santamarı́a pp 11856–11858 DOI: 10.1021/ic201838z Supporting Info

Monovalent and Mixed-Valent Potassium Salts of [1,2,5]Thiadiazolo[3,4-f][1,10]phenanthroline 1,1-Dioxide: A Radical Anion for Multidimensional Network Structures Yoshiaki Shuku, Rie Suizu, and Kunio Awaga pp 11859–11861 DOI: 10.1021/ic201966t Supporting Info

Chiral Induction via the Disassembly of Diruthenium(II,III) Tetraacetate by Chiral Diphosphines Ramesh Vadavi, Eamonn D. Conrad, D. Ian Arbuckle, T. Stanley Cameron, Ernest Essoun, and Manuel A. S. Aquino pp 11862–11864 DOI: 10.1021/ic202013m Supporting Info

Metal–Organic-Framework-Type 1D-Channel Open Network of a Tetravalent Uranium Trimesate Christophe Volkringer, Ionut Mihalcea, Jean-François Vigier, Arnaud Beaurain, Marc Visseaux, and Thierry Loiseau pp 11865–11867 DOI: 10.1021/ic2021963 Supporting Info

Role of Ligand to Control the Mechanism of Nitric Oxide Reduction of Copper(II) Complexes and Ligand Nitrosation Apurba Kalita, Pankaj Kumar, Ramesh C. Deka, and Biplab Mondal pp 11868–11876 DOI: 10.1021/ic201582w Supporting Info

Photochemistry and Photophysics of a Pd(II) Metalloporphyrin: Re(I) Tricarbonyl Bipyridine Molecular Dyad and its Activity Toward the Photoreduction of CO2 to CO Jacob Schneider, Khuong Q. Vuong, James A. Calladine, Xue-Zhong Sun, Adrian C. Whitwood, Michael W. George, and Robin N. Perutz pp 11877–11889 DOI: 10.1021/ic200243y Supporting Info

Investigation of Counterion Influence on an Octahedral IrH6-Complex in the Solid State Hydrides AAeIrH6 (A = Na, K and Ae = Ca, Sr, Ba, and Eu) with a New Structure Type K. Kadir, D. Moser, M. Münzel, and D. Noréus pp 11890–11895 DOI: 10.1021/ic200662m Supporting Info

Cu(bipy)2+/TEMPO-Catalyzed Oxidation of Alcohols: Radical or Nonradical Mechanism? Paola Belanzoni, Carine Michel, and Evert Jan Baerends pp 11896–11904 DOI: 10.1021/ic200725k Supporting Info

Structure, Bonding, and Phase Relations in Bi2Sn2O7 and Bi2Ti2O7 Pyrochlores: New Insights from High Pressure and High Temperature Studies Ashkan Salamat, Andrew L. Hector, Paul F. McMillan, and Clemens Ritter pp 11905–11913 DOI: 10.1021/ic200841v Supporting Info

Synthesis and Hydride Transfer Reactions of Cobalt and Nickel Hydride Complexes to BX3 Compounds Michael T. Mock, Robert G. Potter, Molly J. O’Hagan, Donald M. Camaioni, William G. Dougherty, W. Scott Kassel, and Daniel L. DuBois pp 11914–11928 DOI: 10.1021/ic200857x Supporting Info

Coordination-Driven Inversion of Handedness in Ligand-Modified PNA Silvia Bezer, Srinivas Rapireddy, Yury A. Skorik, Danith H. Ly, and Catalina Achim pp 11929–11937 DOI: 10.1021/ic200855p Supporting Info

Thiocyanate Linkage Isomerism in a Ruthenium Polypyridyl Complex Timothy P. Brewster, Wendu Ding, Nathan D. Schley, Nilay Hazari, Victor S. Batista, and Robert H. Crabtree pp 11938–11946 DOI: 10.1021/ic200950e Supporting Info

Ruthenium Complexes of Thiaporphyrin and Dithiaporphyrin Chuan-Hung Chuang, Chen-Kuo Ou, Shan-Tung Liu, Anil Kumar, Wei-Min Ching, Pei-Chun Chiang, Mira Anne C. dela Rosa, and Chen-Hsiung Hung pp 11947–11957 DOI: 10.1021/ic200977n Supporting Info

Alloyed (ZnSe)x(CuInSe2)1–x and CuInSexS2–x Nanocrystals with a Monophase Zinc Blende Structure over the Entire Composition Range Shenjie Li, Zechen Zhao, Qinghui Liu, Lijian Huang, Gang Wang, Daocheng Pan, Hongjie Zhang, and Xingquan He pp 11958–11964 DOI: 10.1021/ic201083r Supporting Info

Characterization of Low Energy Charge Transfer Transitions in (terpyridine)(bipyridine)Ruthenium(II) Complexes and their Cyanide-Bridged Bi- and Tri-Metallic Analogues Chia-Nung Tsai, Marco M. Allard, Richard L. Lord, Dao-Wen Luo, Yuan-Jang Chen, H. Bernhard Schlegel, and John F. Endicott pp 11965–11977 DOI: 10.1021/ic2010387 Supporting Info

Synthesis and Characterization of Fe(II) β-Diketonato Complexes with Relevance to Acetylacetone Dioxygenase: Insights into the Electronic Properties of the 3-Histidine Facial Triad Heaweon Park, Jacob S. Baus, Sergey V. Lindeman, and Adam T. Fiedler pp 11978–11989 DOI: 10.1021/ic201115s Supporting Info

Novel Lanthanide-Based Polymeric Chains and Corresponding Ultrafast Dynamics in Solution Dominique T. Thielemann, Melanie Klinger, Thomas J. A. Wolf, Yanhua Lan, Wolfgang Wernsdorfer, Madleen Busse, Peter W. Roesky, Andreas-N. Unterreiner, Annie K. Powell, Peter C. Junk, and Glen B. Deacon pp 11990–12000 DOI: 10.1021/ic201157m Supporting Info

Contribution of Spin and Anisotropy to Single Molecule Magnet Behavior in a Family of Bell-Shaped Mn11Ln2 Coordination Clusters Valeriu Mereacre, Yanhua Lan, Rodolphe Clérac, Ayuk M. Ako, Wolfgang Wernsdorfer, Gernot Buth, Christopher E. Anson, and Annie K. Powell pp 12001–12009 DOI: 10.1021/ic201322b Supporting Info

Control of the Photocatalytic Activity of Bimetallic Complexes of Pyropheophorbide-a by Nucleic Acids Dumitru Arian, Larisa Kovbasyuk, and Andriy Mokhir pp 12010–12017 DOI: 10.1021/ic201408h Supporting Info

Modulation of Ligand-Field Parameters by Heme Ruffling in Cytochromes c Revealed by EPR Spectroscopy Mehmet Can, Giorgio Zoppellaro, K. Kristoffer Andersson, and Kara L. Bren pp 12018–12024 DOI: 10.1021/ic201479q Supporting Info

Hydrolysis of Serine-Containing Peptides at Neutral pH Promoted by [MoO4]2– Oxyanion Phuong Hien Ho, Karen Stroobants, and Tatjana N. Parac-Vogt pp 12025–12033 DOI: 10.1021/ic2015034 Supporting Info

Using Metal Complex Reduced States to Monitor the Oxidation of DNA Eric D. Olmon, Michael G. Hill, and Jacqueline K. Barton pp 12034–12044 DOI: 10.1021/ic201511y Supporting Info

Pentanuclear Cyanide-Bridged Complexes Based on Highly Anisotropic CoII Seven-Coordinate Building Blocks: Synthesis, Structure, and Magnetic Behavior Luke J. Batchelor, Marco Sangalli, Régis Guillot, Nathalie Guihéry, Remi Maurice, Floriana Tuna, and Talal Mallah pp 12045–12052 DOI: 10.1021/ic201534e Supporting Info

Synthesis, Characterization, and Materials Chemistry of Group 4 Silylimides S. D. Cosham, A. L. Johnson, K. C. Molloy, and Andrew J. Kingsley pp 12053–12063 DOI: 10.1021/ic2015644 Supporting Info

Electronic Structures and Spectroscopy of the Electron Transfer Series [Fe(NO)L2]z (z = 1+, 0, 1–, 2–,3–; L = Dithiolene) Panida Surawatanawong, Stephen Sproules, Frank Neese, and Karl Wieghardt pp 12064–12074 DOI: 10.1021/ic201565d Supporting Info

Modeling the Mechanism of the Glutathione Peroxidase Mimic Ebselen Sonia Antony and Craig A. Bayse pp 12075–12084 DOI: 10.1021/ic201603v

Tube-Type Coordination Polymers: Two- and Four-Silver(I)-Mediated Linear Networking of Calix[4]arene Tetracarboxylates Ki-Min Park, Eunji Lee, Chul Soon Park, and Shim Sung Lee pp 12085–12090 DOI: 10.1021/ic201622p Supporting Info

Structural Effects Behind the Low Temperature Nonconventional Relaxor Behavior of the Sr2NaNb5O15 Bronze Almudena Torres-Pardo, Ricardo Jiménez, José M. González-Calbet, and Ester Garcı́a-González pp 12091–12098 DOI: 10.1021/ic2016098 Supporting Info

Insight into the Photoinduced Ligand Exchange Reaction Pathway of cis-[Rh2(μ-O2CCH3)2(CH3CN)6]2+ with a DNA Model Chelate Helen T. Chifotides, Daniel A. Lutterman, Kim R. Dunbar, and Claudia Turro pp 12099–12107 DOI: 10.1021/ic201645b Supporting Info

Synthesis and Characterization of a Novel Tetranuclear 5f Compound: A New Synthon for Exploring U(IV) Chemistry Brian S. Newell, Trevor C. Schwaab, and Matthew P. Shores pp 12108–12115 DOI: 10.1021/ic201670z Supporting Info

Structural Flexibility and Role of Vicinal 2-Thienyl Rings in 2,3-Dicyano-5,6-di(2-thienyl)-1,4-pyrazine, [(CN)2Th2Pyz], Its Palladium(II) Complex [(CN)2Th2Pyz(PdCl2)2], and the Related Pentametallic Pyrazinoporphyrazines [(PdCl2)4Th8TPyzPzM] (M = MgII(H2O), ZnII) Maria Pia Donzello, Giorgia De Mori, Elisa Viola, Claudio Ercolani, Enrico Bodo, Luisa Mannina, Donatella Capitani, Corrado Rizzoli, Lorenzo Gontrani, Giuliana Aquilanti, Karl M. Kadish, and Paola D’Angelo pp 12116–12125 DOI: 10.1021/ic201678p Supporting Info

2,4-Pentanediolate as an Alkoxide/Diketonate “Hybrid” Ligand and the Formation of Aluminum and Zirconium Derivatives Eric J. Bierschenk, Nicholas R. Wilk, Jr., and Timothy P. Hanusa pp 12126–12132 DOI: 10.1021/ic201718a Supporting Info

Metal–Organic Frameworks Based on Unprecedented Trinuclear and Pentanuclear Metal–Tetrazole Clusters as Secondary Building Units Seok Jeong, Xiaokai Song, Sehyun Jeong, Minhak Oh, Xinfang Liu, Dongwook Kim, Dohyun Moon, and Myoung Soo Lah pp 12133–12140 DOI: 10.1021/ic201883f Supporting Info

Polynuclear Fen Complexes (n = 1, 2, 4, 5) of Polytopic Hydrazone Ligands with Fe(II), Fe(III) and Mixed Oxidation State Combinations Muhammad U. Anwar, Konstantin V. Shuvaev, Louise N. Dawe, and Laurence K. Thompson pp 12141–12154 DOI: 10.1021/ic201891h Supporting Info

Titanium tert-Butoxyimido Compounds Andrew D. Schwarz, Ainara Nova, Eric Clot, and Philip Mountford pp 12155–12171 DOI: 10.1021/ic201896q Supporting Info

Electrochemiluminescent Peptide Nucleic Acid-Like Monomers Containing Ru(II)–Dipyridoquinoxaline and Ru(II)–Dipyridophenazine Complexes Tanmaya Joshi, Gregory J. Barbante, Paul S. Francis, Conor F. Hogan, Alan M. Bond, and Leone Spiccia pp 12172–12183 DOI: 10.1021/ic201911f Supporting Info

Metal-Controlled Assembly of Uranyl Diphosphonates toward the Design of Functional Uranyl Nanotubules Pius O. Adelani and Thomas E. Albrecht-Schmitt pp 12184–12191 DOI: 10.1021/ic201945p Supporting Info

Mechanism of NO Photodissociation in Photolabile Manganese–NO Complexes with Pentadentate N5 Ligands Anna C. Merkle, Nicole L. Fry, Pradip K. Mascharak, and Nicolai Lehnert pp 12192–12203 DOI: 10.1021/ic201967f Supporting Info

Iodide, Azide, and Cyanide Complexes of (N,C), (N,N), and (N,O) Metallacycles of Tetra- and Pentavalent Uranium Olivier Bénaud, Jean-Claude Berthet, Pierre Thuéry, and Michel Ephritikhine pp 12204–12214 DOI: 10.1021/ic201994w Supporting Info

Synthesis and Structural Characterization of an Unprecedented Nonmetal Cation Polyborate Salt Containing Two Different “Isolated” Polyborate Anions: [H2en]2[B4O5(OH)4][B7O9(OH)5]·3H2O (en = H2NCH2CH2NH2) Michael A. Beckett, Peter N. Horton, Simon J. Coles, and David W. Martin pp 12215–12218 DOI: 10.1021/ic202144f Supporting Info

Correction to First-Row Transition-Metal Chloride Complexes of the Wide Bite-Angle Diphosphine iPrDPDBFphos and Reactivity Studies of Monovalent Nickel Elodie E. Marlier, Stephen J. Tereniak, Keying Ding, Jenna E. Milliken, and Connie C. Lu pp 12219–12219 DOI: 10.1021/ic202142k Errata - link to original article

Issue 24

Preface: Forum on Main-Group Chemistry from Synthesis to Applications Philip P. Power and François Pierre Gabbaı̈ pp 12221–12222 DOI: 10.1021/ic2023049

s-Block Organometallics: Analysis of Ion-Association and Noncovalent Interactions on Structure and Function in Benzyl-Based Compounds Ana Torvisco and Karin Ruhlandt-Senge pp 12223–12240 DOI: 10.1021/ic201148d

Structurally Powered Synergic 2,2,6,6-Tetramethylpiperidine Bimetallics: New Reflections through Lithium-Mediated Ortho Aluminations Robert E. Mulvey, David R. Armstrong, Ben Conway, Elaine Crosbie, Alan R. Kennedy, and Stuart D. Robertson pp 12241–12251 DOI: 10.1021/ic200562h Supporting Info

Mechanistic Aspects of Bond Activation with Perfluoroarylboranes Warren E. Piers, Adam J. V. Marwitz, and Lauren G. Mercier pp 12252–12262 DOI: 10.1021/ic2006474 Supporting Info

Four-Coordinate Organoboron Compounds with a π-Conjugated Chelate Ligand for Optoelectronic Applications Ying-Li Rao and Suning Wang pp 12263–12274 DOI: 10.1021/ic200658v

Aluminum, Gallium, and Indium Hydrazides and the Generation of Oligonuclear Element-Nitrogen Cages: Molecular Intermediates on the Way to Element Nitrides Werner Uhl, Marcus Layh, and Babak Rezaeirad pp 12275–12283 DOI: 10.1021/ic200572q

Synthesis and Structural Characterization of Tris(2-mercapto-1-adamantylimidazolyl)hydroborato Complexes: A Sterically Demanding Tripodal [S3] Donor Ligand Kevin Yurkerwich, Michael Yurkerwich, and Gerard Parkin pp 12284–12295 DOI: 10.1021/ic201504d Supporting Info

Molecular Hume–Rothery Compounds [M(ZnR)n] and [M(ZnR)a(GaR)b] (a + 2b = n ≥ 8): Relations of Coordination Polyhedra and Electronic Structure Mariusz Molon, Christian Gemel, Moritz von Hopffgarten, Gernot Frenking, and Roland A. Fischer pp 12296–12302 DOI: 10.1021/ic200800e Supporting Info

Novel Organometallic Reagents: Geminal Dianionic Derivatives of the Heavy Group 14 Elements Vladimir Ya. Lee and Akira Sekiguchi pp 12303–12314 DOI: 10.1021/ic2006106

Preparation, Characterization, and Theoretical Analysis of Group 14 Element(I) Dimers: A Case Study of Magnesium(I) Compounds as Reducing Agents in Inorganic Synthesis Cameron Jones, Simon J. Bonyhady, Nicole Holzmann, Gernot Frenking, and Andreas Stasch pp 12315–12325 DOI: 10.1021/ic200682p Supporting Info

Carbene Stabilization of Highly Reactive Main-Group Molecules Yuzhong Wang and Gregory H. Robinson pp 12326–12337 DOI: 10.1021/ic200675u Supporting Info

Metal-Free Catalytic Hydrogenation of Polar Substrates by Frustrated Lewis Pairs Douglas W. Stephan, Sharonna Greenberg, Todd W. Graham, Preston Chase, Jeff J. Hastie, Stephen J. Geier, Jeffrey M. Farrell, Christopher C. Brown, Zachariah M. Heiden, Gregory C. Welch, and Matthias Ullrich pp 12338–12348 DOI: 10.1021/ic200663v Supporting Info

White Phosphorus Activation at a Metal–Phosphorus Triple Bond: a New Route to cyclo-Triphosphorus or cyclo-Pentaphosphorus Complexes of Niobium Daniel Tofan, Brandi M. Cossairt, and Christopher C. Cummins pp 12349–12358 DOI: 10.1021/ic2014607 Supporting Info

Ennobling an Old Molecule: Thiazyl Trifluoride (N≡SF3), a Versatile Synthon for Xe–N Bond Formation Gregory L. Smith, Hélène P. A. Mercier, and Gary J. Schrobilgen pp 12359–12373 DOI: 10.1021/ic201161q Supporting Info

Boron Complexes of Pyrrolyl Ligands Penelope J. Brothers pp 12374–12386 DOI: 10.1021/ic2011919

From 1D to 3D Single-Crystal-to-Single-Crystal Structural Transformations Based on Linear Polyanion [Mn4(H2O)18WZnMn2(H2O)2(ZnW9O34)2]4– Lian-Xu Shi, Wen-Feng Zhao, Xuan Xu, Jing Tang, and Chuan-De Wu pp 12387–12389 DOI: 10.1021/ic2020572 Supporting Info

Tuning of the Critical Temperature in Iron(II) Spin-Crossover Materials Based on Bridging Polycyanidometallates: Pentacyanidonitrosylferrate(II) and Hexacyanidoplatinate(IV) Radovan Herchel, Zdeněk Trávníček, and Radek Zbořil pp 12390–12392 DOI: 10.1021/ic201702j Supporting Info

Anionic Heptadecanuclear Silver(I) Cluster Constructed from in Situ Generated 2-Mercaptobenzoic Acid and a Sulfide Anion Di Sun, Fu-Jing Liu, Rong-Bin Huang, and Lan-Sun Zheng pp 12393–12395 DOI: 10.1021/ic201746q Supporting Info

New Volatile Strontium and Barium Imidazolate Complexes for the Deposition of Group 2 Metal Oxides John A. T. Norman, Melanie Perez, M. S. Kim, Xinjian Lei, Sergei Ivanov, Agnes Derecskei-Kovacs, Laura Matz, Iain Buchanan, and Arnold L. Rheingold pp 12396–12398 DOI: 10.1021/ic201751q Supporting Info

Facile O–H Bond Activation in Alcohols by [Cp*RuCl(iPr2PSX)] (X = Pyridyl, Quinolyl): a Route to Ruthenium(IV) Hydrido(alkoxo) Derivatives Manuel Jiménez-Tenorio, M. Carmen Puerta, and Pedro Valerga pp 12399–12401 DOI: 10.1021/ic201912b Supporting Info

Structure Change Induced by Terminal Sulfur in Noncentrosymmetric La2Ga2GeS8 and Eu2Ga2GeS7 and Nonlinear-Optical Responses in Middle Infrared Mei-Chun Chen, Peng Li, Liu-Jiang Zhou, Long-Hua Li, and Ling Chen pp 12402–12404 DOI: 10.1021/ic2020513 Supporting Info

First Magnetostructural Study on a Heterodinuclear 2,2′-Bipyrimidine-Bridged Complex José Martínez-Lillo, Donatella Armentano, Giovanni De Munno, Joan Cano, Francesc Lloret, Miguel Julve, and Juan Faus pp 12405–12407 DOI: 10.1021/ic202088s Supporting Info

Synthesis and Structural Characterization of 1,2,4-Diazaphospholide Complexes of Titanium(IV) and Titanium(III) Wenjun Zheng, Ibon Alkorta, Dongming Yang, Li Wan, Mingang Zhao, and José Elguero pp 12408–12410 DOI: 10.1021/ic2021066 Supporting Info

Layered Assemblies of a Dialuminum-Substituted Silicotungstate Trimer and the Reversible Interlayer Cation-Exchange Properties Yuji Kikukawa, Kazuya Yamaguchi, Mitsuhiro Hibino, and Noritaka Mizuno pp 12411–12413 DOI: 10.1021/ic2022648 Supporting Info

Synthesis and Characterization of (smif)2Mn (n = 0, M = V, Cr, Mn, Fe, Co, Ni, Ru; n = +1, M = Cr, Mn, Co, Rh, Ir; smif =1,3-di-(2-pyridyl)-2-azaallyl) Brenda A. Frazier, Erika R. Bartholomew, Peter T. Wolczanski, Serena DeBeer, Mitk’El Santiago-Berrios, Hector D. Abruña, Emil B. Lobkovsky, Suzanne C. Bart, Susanne Mossin, Karsten Meyer, and Thomas R. Cundari pp 12414–12436 DOI: 10.1021/ic200376f Supporting Info

Local Structure and Charge Distribution in Mixed Uranium–Americium Oxides: Effects of Oxygen Potential and Am Content Damien Prieur, Philippe M. Martin, Aurélien Jankowiak, Elisabeth Gavilan, Andreas C. Scheinost, Nathalie Herlet, Philippe Dehaudt, and Philippe Blanchart pp 12437–12445 DOI: 10.1021/ic200910f

Electronic and Molecular Structures of the Members of the Electron Transfer Series [Cr(tbpy)3]n (n = 3+, 2+, 1+, 0): An X-ray Absorption Spectroscopic and Density Functional Theoretical Study Christopher C. Scarborough, Stephen Sproules, Thomas Weyhermüller, Serena DeBeer, and Karl Wieghardt pp 12446–12462 DOI: 10.1021/ic201123x Supporting Info

Enhancement of the Luminescent Properties of a New Red-Emitting Phosphor, Mn2(HPO3)F2, by Zn Substitution Joseba Orive, José L. Mesa, Rolindes Balda, Joaquı́n Fernández, Jesús Rodrı́guez Fernández, Teófilo Rojo, and Marı́a I. Arriortua pp 12463–12476 DOI: 10.1021/ic201226t Supporting Info

Optical Response of a Cyclometalated Iridium(III) Hydrazino Complex to Carbon Dioxide: Generation of a Strongly Luminescent Iridium(III) Carbazate Kyle R. Schwartz and Kent R. Mann pp 12477–12485 DOI: 10.1021/ic201286k Supporting Info

Tuning the Reactivity in Classic Low-Spin d6 Rhenium(I) Tricarbonyl Radiopharmaceutical Synthon by Selective Bidentate Ligand Variation (L,L′-Bid; L,L′= N,N′, N,O, and O,O′ Donor Atom Sets) in fac-[Re(CO)3(L,L′-Bid)(MeOH)]n Complexes Marietjie Schutte, Gerdus Kemp, Hendrik G. Visser, and Andreas Roodt pp 12486–12498 DOI: 10.1021/ic2013792 Supporting Info

High Dilution of Anionic Vacancies in Sr0.8Ba0.2Fe(O,F)2.5 Mihai Sturza, Sylvie Daviero-Minaud, Marielle Huvé, Nicolas Renaut, Nicolas Tiercelin, and Olivier Mentré pp 12499–12507 DOI: 10.1021/ic2014072 Supporting Info

Positively Charged Lanthanide Complexes with Cyclen-Based Ligands: Synthesis, Solid-State and Solution Structure, and Fluoride Interaction Luı́s M. P. Lima, Alexandre Lecointre, Jean-François Morfin, Andrés de Blas, Dimitris Visvikis, Loı̈c J. Charbonnière, Carlos Platas-Iglesias, and Raphaël Tripier pp 12508–12521 DOI: 10.1021/ic201447c Supporting Info

Crystal Structure, Electronic Structure, and Optical and Photoluminescence Properties of Eu(III) Ion-Doped Lu6Mo(W)O12 Huaiyong Li, Hyun Kyoung Yang, Byung Kee Moon, Byung Chun Choi, Jung Hyun Jeong, Kiwan Jang, Ho Sueb Lee, and Soung Soo Yi pp 12522–12530 DOI: 10.1021/ic201452c Supporting Info

Versatile Behavior of the Fluorophosphinidene Ligand in Iron Carbonyl Chemistry Liqing Zhou, Guoliang Li, Qian-Shu Li, Yaoming Xie, and R. Bruce King pp 12531–12538 DOI: 10.1021/ic201490m Supporting Info

Coordination and Organometallic Chemistry of Relevance to the Rhodium-Based Catalyst for Ethylene Hydroamination Aurélien Béthegnies, Vladislava A. Kirkina, Oleg A. Filippov, Jean-Claude Daran, Natalia V. Belkova, Elena Shubina, and Rinaldo Polic pp 12539–12552 DOI: 10.1021/ic201508m Supporting Info

Electronic Stabilization of Trigonal Bipyramidal Clusters: the Role of the Sn(II) Ions in [Pt5(CO)5{Cl2Sn(μ-OR)SnCl2}3]3– (R = H, Me, Et, iPr) Alessandro Ceriotti, Matteo Daghetta, Simona El Afefey, Andrea Ienco, Giuliano Longoni, Gabriele Manca, Carlo Mealli, Stefano Zacchini, and Salvatore Zarra pp 12553–12561 DOI: 10.1021/ic201519j Supporting Info

New Family of Silver(I) Complexes Based on Hydroxyl and Carboxyl Groups Decorated Arenesulfonic Acid: Syntheses, Structures, and Luminescent Properties Xiang-Qian Fang, Zhao-Peng Deng, Li-Hua Huo, Wang Wan, Zhi-Biao Zhu, Hui Zhao, and Shan Gao pp 12562–12574 DOI: 10.1021/ic201589p Supporting Info

Oxidatively Induced Reactivity of [Fe2(CO)4(κ2-dppe)(μ-pdt)]: an Electrochemical and Theoretical Study of the Structure Change and Ligand Binding Processes Dounia Chouffai, Giuseppe Zampella, Jean-François Capon, Luca De Gioia, Frédéric Gloaguen, François Y. Pétillon, Philippe Schollhammer, and Jean Talarmin pp 12575–12585 DOI: 10.1021/ic201601q Supporting Info

Synthesis, Structural Characterization, Photophysical, Electrochemical, and Anion-Sensing Studies of Luminescent Homo- and Heteroleptic Ruthenium(II) and Osmium(II) Complexes Based on Terpyridyl-imidazole Ligand Chanchal Bhaumik, Debasish Saha, Shyamal Das, and Sujoy Baitalik pp 12586–12600 DOI: 10.1021/ic201610w Supporting Info

3,5-Bis(ethynyl)pyridine and 2,6-Bis(ethynyl)pyridine Spanning Two Fe(Cp*)(dppe) Units: Role of the Nitrogen Atom on the Electronic and Magnetic Couplings Karine Costuas, Olivier Cador, Frédéric Justaud, Sylvie Le Stang, Frédéric Paul, Antonio Monari, Stefano Evangelisti, Loïc Toupet, Claude Lapinte, and Jean-François Halet pp 12601–12622 DOI: 10.1021/ic2016148 Supporting Info

The Rhenium Tris(dithiolene) Electron Transfer Series: Calibrating Covalency Stephen Sproules, Thomas Weyhermüller, Richard Goddard, and Karl Wieghardt pp 12623–12631 DOI: 10.1021/ic2016534 Supporting Info

Pyridazine Based Scorpionate Ligand in a Copper Boratrane Compound Gernot Nuss, Gerald Saischek, Bastian N. Harum, Manuel Volpe, Ferdinand Belaj, and Nadia C. Mösch-Zanetti pp 12632–12640 DOI: 10.1021/ic201666w Supporting Info

The Crystal Chemistry of Ca10–y(SiO4)3(SO4)3Cl2–x–2yFx Ellestadite Yanan Fang, Clemens Ritter, and Tim White pp 12641–12650 DOI: 10.1021/ic201673r Supporting Info

Steric Modifications Tune the Regioselectivity of the Alkane Oxidation Catalyzed by Non-Heme Iron Complexes Yu He, John D. Gorden, and Christian R. Goldsmith pp 12651–12660 DOI: 10.1021/ic201695a Supporting Info

Noncovalent Interactions between a Trinuclear Monofunctional Platinum Complex and Human Serum Albumin Yanqing Wang, Xiaoyong Wang, Jing Wang, Yongmei Zhao, Weijiang He, and Zijian Guo pp 12661–12668 DOI: 10.1021/ic201712e

Conjugation of Organoruthenium(II) 3-(1H-Benzimidazol-2-yl)pyrazolo[3,4-b]pyridines and Indolo[3,2-d]benzazepines to Recombinant Human Serum Albumin: a Strategy To Enhance Cytotoxicity in Cancer Cells Iryna N. Stepanenko, Angela Casini, Fabio Edafe, Maria S. Novak, Vladimir B. Arion, Paul J. Dyson, Michael A. Jakupec, and Bernhard K. Keppler pp 12669–12679 DOI: 10.1021/ic201801e Supporting Info

Heterogeneous Dehydrocoupling of Amine–Borane Adducts by Skeletal Nickel Catalysts Alasdair P. M. Robertson, Riccardo Suter, Laurent Chabanne, George R. Whittell, and Ian Manners pp 12680–12691 DOI: 10.1021/ic201809g Supporting Info

Suppression of Realgar Cage Degradation during Complexation: Formation of Hybrid Coordination Polymers with As4S4, PAs3S3, and Cu(I) Halide Building Blocks Patrick Schwarz, Joachim Wachter, and Manfred Zabel pp 12692–12696 DOI: 10.1021/ic2018049 Supporting Info

Salen-Based Coordination Polymers of Iron and the Rare Earth Elements Asamanjoy Bhunia, Yanhua Lan, Valeriu Mereacre, Michael T. Gamer, Annie K. Powell, and Peter W. Roesky pp 12697–12704 DOI: 10.1021/ic2018264 Supporting Info

Light-Induced Copper(II) Coordination by a Bicyclic Tetraaza Chelator through a Ligand-to-Metal Charge-Transfer Reaction Jacob R. Holm-Jørgensen, Mikael Jensen, and Morten J. Bjerrum pp 12705–12713 DOI: 10.1021/ic201839w Supporting Info

Chemical Pressure and Rare-Earth Orbital Contributions in Mixed Rare-Earth Silicides La5–xYxSi4 (0 ≤ x ≤ 5) Hui Wang, Fei Wang, Karah Jones, and Gordon J. Miller pp 12714–12723 DOI: 10.1021/ic201840q Supporting Info

Chiroptical Spectra of a Series of Tetrakis((+)-3-heptafluorobutylyrylcamphorato)lanthanide(III) with an Encapsulated Alkali Metal Ion: Circularly Polarized Luminescence and Absolute Chiral Structures for the Eu(III) and Sm(III) Complexes Jamie L. Lunkley, Dai Shirotani, Kazuaki Yamanari, Sumio Kaizaki, and Gilles Muller pp 12724–12732 DOI: 10.1021/ic201851r Supporting Info

Phase Evolution, Phase Transition, Raman Spectra, Infrared Spectra, and Microwave Dielectric Properties of Low Temperature Firing (K0.5xBi1–0.5x)(MoxV1–x)O4 Ceramics with Scheelite Related Structure Di Zhou, Li-Xia Pang, Jing Guo, Hong Wang, Xi Yao, and Clive Randall pp 12733–12738 DOI: 10.1021/ic201862e

Hydrogen-Bonded Inclusion Compounds with Reversed Polarity: Anionic Metal-Complexes and Cationic Organic Linkers M. Jaya Prakash and Slavi C. Sevov pp 12739–12746 DOI: 10.1021/ic2018715 Supporting Info

Novel Dinuclear Platinum(II) Complexes Containing Mixed Nitrogen–Sulfur Donor Ligands Stephanie Hochreuther, Ralph Puchta, and Rudi van Eldik pp 12747–12761 DOI: 10.1021/ic2018902 Supporting Info

Overoxidation of Phenol by Hexachloroiridate(IV) Na Song and David M. Stanbury pp 12762–12773 DOI: 10.1021/ic201897m Supporting Info

New Mixed-Valent Mn Clusters from the Use of N,N,N′,N′-Tetrakis(2-hydroxyethyl)ethylenediamine (edteH4): Mn3, Mn4, Mn6, and Mn10 Arpita Saha, Khalil A. Abboud, and George Christou pp 12774–12784 DOI: 10.1021/ic201916d Supporting Info

Mn2+ Complexes with 12-Membered Pyridine Based Macrocycles Bearing Carboxylate or Phosphonate Pendant Arm: Crystallographic, Thermodynamic, Kinetic, Redox, and 1H/17O Relaxation Studies Bohuslav Drahoš, Jan Kotek, Ivana Cı́sařová, Petr Hermann, Lothar Helm, Ivan Lukeš, and Éva Tóth pp 12785–12801 DOI: 10.1021/ic201935r Supporting Info

Unusual Multi-Step Sequential AuIII/AuII Processes of Gold(III) Quinoxalinoporphyrins in Acidic Non-Aqueous Media Zhongping Ou, Weihua Zhu, Yuanyuan Fang, Paul J. Sintic, Tony Khoury, Maxwell J. Crossley, and Karl M. Kadish pp 12802–12809 DOI: 10.1021/ic2019567

Group 15 Pnictenium Cations Supported by a Conjugated Bithiophene Backbone Jacquelyn T. Price, Melanie Lui, Nathan D. Jones, and Paul J. Ragogna pp 12810–12817 DOI: 10.1021/ic201983n Supporting Info

Bi2(IO4)(IO3)3: A New Potential Infrared Nonlinear Optical Material Containing [IO4]3– Anion Zhenbo Cao, Yinchao Yue, Jiyong Yao, Zheshuai Lin, Ran He, and Zhanggui Hu pp 12818–12822 DOI: 10.1021/ic201991m Supporting Info

Copper, Nickel, and Zinc Cyclam–Amino Acid and Cyclam–Peptide Complexes May Be Synthesized with “Click” Chemistry and Are Noncytotoxic Mingfeng Yu, Jason R. Price, Paul Jensen, Carrie J. Lovitt, Todd Shelper, Sandra Duffy, Louisa C. Windus, Vicky M. Avery, Peter J. Rutledge, and Matthew H. Todd pp 12823–12835 DOI: 10.1021/ic2020012 Supporting Info

Unexpected Direct Reduction Mechanism for Hydrogenation of Ketones Catalyzed by Iron PNP Pincer Complexes Xinzheng Yang pp 12836–12843 DOI: 10.1021/ic2020176 Supporting Info

Synthesis and Molecular Structure of Gold Triarylcorroles Kolle E. Thomas, Abraham B. Alemayehu, Jeanet Conradie, Christine Beavers, and Abhik Ghosh pp 12844–12851 DOI: 10.1021/ic202023r Supporting Info

Effect of N(4)-Phenyl Substitution in 2-Oxo-1,2-dihydroquinoline-3-carbaldehyde Semicarbazones on the Structure, DNA/Protein Interaction, and Antioxidative and Cytotoxic Activity of Cu(II) Complexes Duraisamy Senthil Raja, Nattamai S. P. Bhuvanesh, and Karuppannan Natarajan pp 12852–12866 DOI: 10.1021/ic2020308 Supporting Info

Structural, Magnetic, and Electronic Properties of Phenolic Oxime Complexes of Cu and Ni Alexander M. Whyte, Benjamin Roach, David K. Henderson, Peter A. Tasker, Michio M. Matsushita, Kunio Awaga, Fraser J. White, Patricia Richardson, and Neil Robertson pp 12867–12876 DOI: 10.1021/ic2020644 Supporting Info

Crystal Structure and Magnetic Properties of Two New Antiferromagnetic Spin Dimer Compounds; FeTe3O7X (X = Cl, Br) Dong Zhang, Reinhard K. Kremer, Peter Lemmens, Kwang-Yong Choi, Jia Liu, Myung-Hwan Whangbo, Helmuth Berger, Yurii Skourski, and Mats Johnsson pp 12877–12885 DOI: 10.1021/ic202093s Supporting Info

Incorporation of Amphiphilic Ruthenium(II) Ammine Complexes into Langmuir–Blodgett Thin Films with Switchable Quadratic Nonlinear Optical Behavior Leı̈la Boubekeur-Lecaque, Benjamin J. Coe, James A. Harris, Madeleine Helliwell, Inge Asselberghs, Koen Clays, Stijn Foerier, and Thierry Verbiest pp 12886–12899 DOI: 10.1021/ic202145b Supporting Info