Dichotomous hydrogen atom transfer vs proton-coupled electron transfer during activation of X-H bonds (X = C, N, O) by nonheme iron-oxo complexes of variable basicity - Wikidata - wikimedia - TriplyDB

Dichotomous hydrogen atom transfer vs proton-coupled electron transfer during activation of X-H bonds (X = C, N, O) by nonheme iron-oxo complexes of variable basicity

Dichotomous hydrogen atom transfer vs proton-coupled electron transfer during activation of X-H bonds (X = C, N, O) by nonheme iron-oxo complexes of variable basicity

http://www.wikidata.org/entity/Q37421907

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Perturbing the Copper(III)–Hydroxide Unit through Ligand Structural Variation Reactivity of an Fe(IV)-Oxo Complex with Protons and Oxidants Intramolecular C-H and C-F Bond Oxygenation Mediated by a Putative Terminal Oxo Species in Tetranuclear Iron Complexes Accelerated Oxygen Atom Transfer and C-H Bond Oxygenation by Remote Redox Changes in Fe3 Mn-Iodosobenzene Adducts.Excited state potential energy surfaces and their interactions in Fe(IV)=O active sites Ferryl protonation in oxoiron(IV) porphyrins and its role in oxygen transfer Toward the synthesis of more reactive S = 2 non-heme oxoiron(IV) complexes.[CuO](+) and [CuOH](2+) complexes: intermediates in oxidation catalysis?Lessons from Nature: A Bio-Inspired Approach to Molecular Design.Suicide Inhibition of Cytochrome P450 Enzymes by Cyclopropylamines via a Ring-Opening Mechanism: Proton-Coupled Electron Transfer Makes a Difference.Applications of density functional theory to iron-containing molecules of bioinorganic interest.Reactivity of the copper(iii)-hydroxide unit with phenols.Mono- and binuclear non-heme iron chemistry from a theoretical perspective.Oxidation Reactions with Bioinspired Mononuclear Non-Heme Metal-Oxo Complexes.Analyzing Reaction Rates with the Distortion/Interaction-Activation Strain Model.The Influence of Peripheral Substituent Modification on P(V), Mn(III), and Mn(V)(O) Corrolazines: X-ray Crystallography, Electrochemical and Spectroscopic Properties, and HAT and OAT Reactivities.Hydrogen atom abstraction from hydrocarbons by a copper(III)-hydroxide complex Water-soluble Fe(II)-H2O complex with a weak O-H bond transfers a hydrogen atom via an observable monomeric Fe(III)-OH.Mn(V)(O) versus Cr(V)(O) Porphyrinoid Complexes: Structural Characterization and Implications for Basicity Controlling H-Atom Abstraction Manganese(II) complexes with Bn-tpen as powerful catalysts of cyclohexene oxidation.Control of Product Distribution and Mechanism by Ligation and Electric Field in the Thermal Activation of Methane.Interplay of Electronic Cooperativity and Exchange Coupling in Regulating the Reactivity of Diiron(IV)-oxo Complexes towards C-H and O-H Bond Activation.Fast Hydrogen Atom Abstraction by a Hydroxo Iron(III) Porphyrazine.Oxidation of phenyl and hydride ligands of bis(pentamethylcyclopentadienyl)hafnium derivatives by nitrous oxide via selective oxygen atom transfer reactions: insights from quantum chemistry calculations.Activation parameters as mechanistic probes in the TAML iron(V)-oxo oxidations of hydrocarbons.Electronic Origin of the Competitive Mechanisms in the Thermal Activation of Methane by the Heteronuclear Cluster Oxide [Al2 ZnO4 ].Why different ligands can control stereochemistry selectivity of Ni-catalyzed Suzuki-Miyaura cross-coupling of benzylic carbamates with arylboronic esters: a mechanistic study.Mechanism and Selectivity of Ru(II) - and Rh(III) -Catalyzed Oxidative Spiroannulation of Naphthols and Phenols with Alkynes through a C-H Activation/Dearomatization Strategy.Switchover of the Mechanism between Electron Transfer and Hydrogen-Atom Transfer for a Protonated Manganese(IV)-Oxo Complex by Changing Only the Reaction Temperature.Cytochrome P450-catalyzed dealkylation of atrazine by Rhodococcus sp. strain NI86/21 involves hydrogen atom transfer rather than single electron transfer.Bio-activation of 4-alkyl analogs of 1,4-dihydropyridine mediated by cytochrome P450 enzymes.cPCET versus HAT: A Direct Theoretical Method for Distinguishing X-H Bond-Activation Mechanisms Does Substrate Positioning Affect the Selectivity and Reactivity in the Hectochlorin Biosynthesis Halogenase?Combined Multistate and Kohn-Sham Density Functional Theory Studies of the Elusive Mechanism of -Dealkylation of -Dimethylanilines Mediated by the Biomimetic Nonheme Oxidant Fe(O)(N4Py)(ClO)Mechanism and origins of selectivity in rhodium-catalyzed intermolecular [3 + 2] cycloadditions of vinylaziridines with allenes Mechanism and Origins of Ligand-Controlled Selectivity of Rhodium-Catalyzed Intermolecular Cycloadditions of Vinylaziridines with Alkynes

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P2860

Dichotomous hydrogen atom transfer vs proton-coupled electron transfer during activation of X-H bonds (X = C, N, O) by nonheme iron-oxo complexes of variable basicity

http://www.wikidata.org/entity/Q37421907

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2013 nî lūn-bûn

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2013年の論文

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2013年学术文章

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2013年学术文章

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2013年学术文章

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2013年学术文章

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2013年學術文章

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2013年學術文章

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2013年學術文章

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Dichotomous hydrogen atom tran ...... complexes of variable basicity

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Dichotomous hydrogen atom tran ...... omplexes of variable basicity.

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Dichotomous hydrogen atom tran ...... complexes of variable basicity

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Dichotomous hydrogen atom tran ...... omplexes of variable basicity.

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Dichotomous hydrogen atom tran ...... complexes of variable basicity

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Dichotomous hydrogen atom tran ...... omplexes of variable basicity.

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Dichotomous hydrogen atom tran ...... complexes of variable basicity

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A S Borovik

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Dandamudi Usharani

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David C Lacy

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Sason Shaik

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P2860

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Proton-coupled electron transfer

Generalized Gradient Approximation Made Simple

The catalytic pathway of cytochrome p450cam at atomic resolution

A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions

Concerted proton-electron transfers: electrochemical and related approaches

Thermochemistry of proton-coupled electron transfer reagents and its implications

Block-Localized Density Functional Theory (BLDFT), Diabatic Coupling, and Their Use in Valence Bond Theory for Representing Reactive Potential Energy Surfaces

A high-valent heterobimetallic [Cu(III)(μ-O)2Ni(III)]2+ core with nucleophilic oxo groups.

The fundamental role of exchange-enhanced reactivity in C-H activation by S=2 oxo iron(IV) complexes

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17090-17104

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