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RESEARCH PAPER · Inorganic Chemistry · 2018

Effects of Charged Ligand Substituents on the Properties of the Formally Copper(III)-Hydroxide ([CuOH] 2+ ) Unit

Debanjan Dhar, Gereon M. Yee, William B. Tolman

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Effects of Charged Ligand Substituents on the Properties of the Formally Copper(III)-Hydroxide ([CuOH] 2+ ) UnitOriginalDensity Functional Modeling of Ligand Effects on Electronic Structure and C–H Bond Activation Activity of Copper(III) Hydroxide Compounds9Copper complexes of multidentate carboxamide ligands12Elucidating the secondary effect in the Lewis acid mediated anodic shift of electrochemical oxidation of a Cu( ii ) complex with a N 2 O 2 donor unsymmetrical ligand24High-valence Cu II Cu III species in action: demonstration of aliphatic C–H bond activation at room temperature16Insights into Dioxygen Activation by Biomimetic Alkyl Thiolate-Ligated Iron Complexes0Nitrite Reduction by Trinuclear Copper Pyrazolate Complexes: An Example of a Catalytic, Synthetic Polynuclear NO Releasing System37A Comparative Study of the Catalytic Behaviour of Alkoxy-1,3,5-Triazapentadiene Copper(II) Complexes in Cyclohexane Oxidation10Low Reorganization Energy for Electron Self-Exchange by a Formally Copper(III,II) Redox Couple30Mechanisms for Hydrogen-Atom Abstraction by Mononuclear Copper(III) Cores: Hydrogen-Atom Transfer or Concerted Proton-Coupled Electron Transfer?97Gas‐phase studies of copper(I)‐mediated CO2 extrusion followed by insertion of the heterocumulenes CS2 or phenylisocyanate9Exceptionally High O–H Bond Dissociation Free Energy of a Dicopper(II) μ-Hydroxo Complex and Insights into the Geometric and Electronic Structure Origins Thereof26Intramolecular Electrostatic Effects on O2, CO2, and Acetate Binding to a Cationic Iron Porphyrin45Using internal electrostatic fields to manipulate the valence manifolds of copper complexes26Quantification of the Electrostatic Effect on Redox Potential by Positive Charges in a Catalyst Microenvironment16Well-defined organometallic Copper(III) complexes: Preparation, characterization and reactivity88Electric Fields in Catalysis: From Enzymes to Molecular Catalysts178Synthesis of a Sterically Encumbered Pincer Au(III)−OH Complex10Cationic Effects on the Effective Hydrogen Atom Bond Dissociation Free Energy of High Valent Manganese Imido Complexes0A guide to secondary coordination sphere editing149Electrostatic vs. inductive effects in phosphine ligand donor properties and reactivity16Oriented internal electrostatic fields: an emerging design element in coordination chemistry and catalysis41Iron Complexes of a Proton-Responsive SCS Pincer Ligand with a Sensitive Electronic Structure13Cationic Effects on the Net Hydrogen Atom Bond Dissociation Free Energy of High-Valent Manganese Imido Complexes50Involvement of a Formally Copper(III) Nitrite Complex in Proton-Coupled Electron Transfer and Nitration of Phenols27Theoretical perspective on mononuclear copper-oxygen mediated C–H and O–H activations: A comparison between biological and synthetic systems19Electrosteric Stabilization of End-on Cupric Superoxide Complexes2Homolytic X‐H Bond Cleavage at a Gold(III) Hydroxide: Insights into One‐Electron Events at Gold12Thermochemical Studies of Nickel Hydride Complexes with Cationic Ligands in Aqueous and Organic Solvents12A Contrasting Effect of Acid in Electron Transfer, Oxygen Atom Transfer, and Hydrogen Atom Transfer Reactions of a Nickel(III) Complex5Recent progress and applications enabled via electrochemically triggered and controlled chain-growth polymerizations17Unusual Water Oxidation Mechanism via a Redox-Active Copper Polypyridyl Complex37Understanding the Effect of Internal Electrostatic Fields Created by Alkaline Earth Metal Ions Poised over Secondary Coordination Sphere of Molecular Iron Complexes7Synthesis and characterization of nano crystallite carboxamide-based iron(III) complexes: SOD mimetic activity, antibacterial and anticancer activity and molecular docking study2Identifying Radical Pathways for Cu(I)/Cu(II) Relay Catalyzed Oxygenation via Online Coupled EPR/UV–Vis/Near‐IR Monitoring14High pressure–derived nonsymmetrical [Cu 2 O] 2+ core for room-temperature methane hydroxylation6Assessing structure and dynamics of iron complexes supported by tris(amidate)amine ligands3Synthesis of [Os(bpy) 2 (py)(OH 2 )](PF 6 ) x substituted pyridine complexes; characterization of a singly bridged H 3 O 2 − ligand1Synthesis and characterization of trigonal monopyramidal complexes of divalent manganese1Electrostatic Fields Induce Accelerated Proton Coupled Electron Transfer Rates in Chlorophyll Model Compounds6Biomimetic modeling of copper nitrite reductase: acid-catalyzed reduction of nitrite to nitric oxide at a Cu( i )-center via a Cu( ii )-hydroxide intermediate0Terminal Cyanate in Stabilizing Mononuclear Cu(III) Complex: Room Temperature Preparation, Characterization, and Reactivity0Reversing the Rate versus Overpotential Scaling in Electrocatalytic Hydrogen Evolution Induced by Electrostatic Field Engineering at Remote Sites0

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  1. Density Functional Modeling of Ligand Effects on Electronic Structure and C–H Bond Activation Activity of Copper(III) Hydroxide Compounds

    Inorganic Chemistry · 2018-08-02

    Büşra Dereli, Mohammad R. Momeni, Christopher J. Cramer

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  2. Copper complexes of multidentate carboxamide ligands

    Inorganica Chimica Acta · 2018-10-09

    Courtney E. Elwell, Benjamin D. Neisen, William B. Tolman

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  3. Elucidating the secondary effect in the Lewis acid mediated anodic shift of electrochemical oxidation of a Cu( ii ) complex with a N 2 O 2 donor unsymmetrical ligand

    Dalton Transactions · 2019-01-01

    Souvik Maity, Soumavo Ghosh, Ashutosh Ghosh

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  4. High-valence Cu II Cu III species in action: demonstration of aliphatic C–H bond activation at room temperature

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    James Alfred Isaac, Aurore Thibon, Amélie Durand, Christian Philouze, Nicolas Le Poul, Catherine Belle

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  5. Insights into Dioxygen Activation by Biomimetic Alkyl Thiolate-Ligated Iron Complexes

    ResearchWorks at the University of Washington (University of Washington) · 2019-01-01

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  6. Nitrite Reduction by Trinuclear Copper Pyrazolate Complexes: An Example of a Catalytic, Synthetic Polynuclear NO Releasing System

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    Kaige Shi, Logesh Mathivathanan, A.K. Boudalis, Philippe Turek, Indranil Chakraborty, Raphael G. Raptis

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  7. A Comparative Study of the Catalytic Behaviour of Alkoxy-1,3,5-Triazapentadiene Copper(II) Complexes in Cyclohexane Oxidation

    Inorganics · 2019-06-29

    Oksana V. Nesterova, Maximilian N. Kopylovich, Dmytro S. Nesterov

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  8. Low Reorganization Energy for Electron Self-Exchange by a Formally Copper(III,II) Redox Couple

    Inorganic Chemistry · 2019-10-02

    Timothy J. Zerk, Caroline T. Saouma, James M. Mayer, William B. Tolman

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  9. Mechanisms for Hydrogen-Atom Abstraction by Mononuclear Copper(III) Cores: Hydrogen-Atom Transfer or Concerted Proton-Coupled Electron Transfer?

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    Mukunda Mandal, Courtney E. Elwell, Caitlin J. Bouchey, Timothy J. Zerk, William B. Tolman, Christopher J. Cramer

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  10. Gas‐phase studies of copper(I)‐mediated CO2 extrusion followed by insertion of the heterocumulenes CS2 or phenylisocyanate

    Journal of Mass Spectrometry · 2020-05-26

    Yang Yang, Allan J. Canty, Richard A. J. O’Hair

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  11. Exceptionally High O–H Bond Dissociation Free Energy of a Dicopper(II) μ-Hydroxo Complex and Insights into the Geometric and Electronic Structure Origins Thereof

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    Peter E. VanNatta, David A. Ramirez, Andres R. Velarde, Ghazanfar Ali, Matthew T. Kieber‐Emmons

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  12. Intramolecular Electrostatic Effects on O2, CO2, and Acetate Binding to a Cationic Iron Porphyrin

    Inorganic Chemistry · 2020-11-17

    Daniel J. Martin, Samantha I. Johnson, Brandon Q. Mercado, Simone Raugei, James M. Mayer

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  13. Using internal electrostatic fields to manipulate the valence manifolds of copper complexes

    Chemical Science · 2021-01-01

    Alexander B. Weberg, Samuel P. McCollom, Laura M. Thierer, Michael R. Gau, Patrick J. Carroll, Neil C. Tomson

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  14. Quantification of the Electrostatic Effect on Redox Potential by Positive Charges in a Catalyst Microenvironment

    The Journal of Physical Chemistry Letters · 2021-03-22

    Natalia D. Loewen, Santanu Pattanayak, Rolfe H. Herber, James C. Fettinger, Louise A. Berben

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  15. Well-defined organometallic Copper(III) complexes: Preparation, characterization and reactivity

    Coordination Chemistry Reviews · 2021-05-11

    He Liu, Qilong Shen

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  16. Electric Fields in Catalysis: From Enzymes to Molecular Catalysts

    ACS Catalysis · 2021-08-18

    Nadia G. Léonard, Rakia Dhaoui, Teera Chantarojsiri, Jenny Y. Yang

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  17. Synthesis of a Sterically Encumbered Pincer Au(III)−OH Complex

    European Journal of Inorganic Chemistry · 2021-09-02

    Silène Engbers, Evgeniya A. Trifonova, Kristopher Hess, F. de Vries, Johannes E. M. N. Klein

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  18. Cationic Effects on the Effective Hydrogen Atom Bond Dissociation Free Energy of High Valent Manganese Imido Complexes

    Unknown journal · 2021-09-13

    Nadia G. Léonard, Teera Chantarojsiri, Joseph W. Ziller, Jenny Y. Yang

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  19. A guide to secondary coordination sphere editing

    Chemical Society Reviews · 2022-01-01

    Marcus W. Drover

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  20. Electrostatic vs. inductive effects in phosphine ligand donor properties and reactivity

    Chemical Science · 2022-01-01

    Margaret L. Kelty, Andrew J. McNeece, Josh W. Kurutz, Alexander S. Filatov, John Stuart Anderson

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  21. Oriented internal electrostatic fields: an emerging design element in coordination chemistry and catalysis

    Chemical Science · 2022-01-01

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  22. Iron Complexes of a Proton-Responsive SCS Pincer Ligand with a Sensitive Electronic Structure

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    Kazimer L. Skubi, Reagan X. Hooper, Brandon Q. Mercado, Melissa M. Bollmeyer, Samantha N. MacMillan, Kyle M. Lancaster, Patrick L. Holland

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  23. Cationic Effects on the Net Hydrogen Atom Bond Dissociation Free Energy of High-Valent Manganese Imido Complexes

    Journal of the American Chemical Society · 2022-01-18

    Nadia G. Léonard, Teera Chantarojsiri, Joseph W. Ziller, Jenny Y. Yang

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  24. Involvement of a Formally Copper(III) Nitrite Complex in Proton-Coupled Electron Transfer and Nitration of Phenols

    Inorganic Chemistry · 2022-01-26

    Caitlin J. Bouchey, William B. Tolman

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  25. Theoretical perspective on mononuclear copper-oxygen mediated C–H and O–H activations: A comparison between biological and synthetic systems

    CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) · 2022-02-28

    Peng Wu, Jinyan Zhang, Qianqian Chen, Wei Peng, Binju Wang

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  26. Electrosteric Stabilization of End-on Cupric Superoxide Complexes

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    Alexander B. Weberg, Samuel P. McCollom, Neil C. Tomson

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  27. Homolytic X‐H Bond Cleavage at a Gold(III) Hydroxide: Insights into One‐Electron Events at Gold

    Chemistry - A European Journal · 2022-05-04

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  28. Thermochemical Studies of Nickel Hydride Complexes with Cationic Ligands in Aqueous and Organic Solvents

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  29. A Contrasting Effect of Acid in Electron Transfer, Oxygen Atom Transfer, and Hydrogen Atom Transfer Reactions of a Nickel(III) Complex

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  30. Recent progress and applications enabled via electrochemically triggered and controlled chain-growth polymerizations

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  31. Unusual Water Oxidation Mechanism via a Redox-Active Copper Polypyridyl Complex

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  32. Understanding the Effect of Internal Electrostatic Fields Created by Alkaline Earth Metal Ions Poised over Secondary Coordination Sphere of Molecular Iron Complexes

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  34. Identifying Radical Pathways for Cu(I)/Cu(II) Relay Catalyzed Oxygenation via Online Coupled EPR/UV–Vis/Near‐IR Monitoring

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  35. High pressure–derived nonsymmetrical [Cu 2 O] 2+ core for room-temperature methane hydroxylation

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  36. Assessing structure and dynamics of iron complexes supported by tris(amidate)amine ligands

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  37. Synthesis of [Os(bpy) 2 (py)(OH 2 )](PF 6 ) x substituted pyridine complexes; characterization of a singly bridged H 3 O 2 − ligand

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