(Q37421907)

English

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

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scholarly article

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Europe PubMed Central

PMC publication ID

20 August 2017

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 (English)

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

proton-coupled electron transfer

1 reference

based on heuristic

inferred from title

author name string

Dandamudi Usharani

1

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

David C Lacy

2

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

A S Borovik

3

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

Sason Shaik

4

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

language of work or name

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publication date

4 November 2013

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Europe PubMed Central

PMC publication ID

20 August 2017

Journal of the American Chemical Society

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Europe PubMed Central

PMC publication ID

20 August 2017

135

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

45

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

17090-17104

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

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

1 reference

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A Mononuclear Carboxylate-Rich Oxoiron(IV) Complex: a Structural and Functional Mimic of TauD Intermediate 'J'

1 reference

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The Third Dimension of a More O'Ferrall-Jencks Diagram for Hydrogen Atom Transfer in the Isoelectronic Hydrogen Exchange Reactions of (PhX)(2)H(•) with X = O, NH, and CH(2).

1 reference

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Proton-coupled electron transfer

1 reference

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Hydrogen-abstraction reactivity patterns from A to Y: the valence bond way.

1 reference

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The biology and chemistry of high-valent iron-oxo and iron-nitrido complexes

1 reference

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A more reactive trigonal-bipyramidal high-spin oxoiron(IV) complex with a cis-labile site

1 reference

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A Simple Marcus-Theory Type Model for Hydrogen Atom Transfer/Proton-Coupled Electron Transfer

1 reference

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Role of metal-oxo complexes in the cleavage of C-H bonds

1 reference

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Modeling the cis-oxo-labile binding site motif of non-heme iron oxygenases: water exchange and oxidation reactivity of a non-heme iron(IV)-oxo compound bearing a tripodal tetradentate ligand.

1 reference

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Nonheme oxo-iron(IV) intermediates form an oxyl radical upon approaching the C-H bond activation transition state

1 reference

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Cytochrome P450 compound I: capture, characterization, and C-H bond activation kinetics

1 reference

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Understanding hydrogen atom transfer: from bond strengths to Marcus theory

1 reference

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Thermochemistry of proton-coupled electron transfer reagents and its implications

1 reference

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

1 reference

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Concerted proton-electron transfers: electrochemical and related approaches

1 reference

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

1 reference

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A diiron(IV) complex that cleaves strong C-H and O-H bonds

1 reference

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Reactivities of Fe(IV) complexes with oxo, hydroxo, and alkylperoxo ligands: an experimental and computational study

1 reference

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Theory of proton-coupled electron transfer in energy conversion processes

1 reference

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A synthetic high-spin oxoiron(IV) complex: generation, spectroscopic characterization, and reactivity

1 reference

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Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions

1 reference

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Peroxo and oxo intermediates in mononuclear nonheme iron enzymes and related active sites

1 reference

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The effects of hydrogen bonds on metal-mediated O2 activation and related processes

1 reference

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MPW1K Performs Much Better than B3LYP in DFT Calculations on Reactions that Proceed by Proton-Coupled Electron Transfer (PCET).

1 reference

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Electronic structure and reactivity of three-coordinate iron complexes

1 reference

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Axial ligand tuning of a nonheme iron(IV)-oxo unit for hydrogen atom abstraction

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3876471

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Proton-coupled electron transfer

1 reference

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Distortion/interaction energy control of 1,3-dipolar cycloaddition reactivity

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Non-heme Fe(IV)-oxo intermediates

1 reference

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High-valent iron(IV)-oxo complexes of heme and non-heme ligands in oxygenation reactions

1 reference

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1 reference

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Proton-coupled electron transfer: a reaction chemist's view

1 reference

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Dioxygen activation at mononuclear nonheme iron active sites: enzymes, models, and intermediates

1 reference

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Heme-Containing Oxygenases

1 reference

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Factors Controlling the Addition of Carbon-Centered Radicals to Alkenes-An Experimental and Theoretical Perspective

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The catalytic pathway of cytochrome p450cam at atomic resolution

1 reference

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Generalized Gradient Approximation Made Simple

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Generalized X-Pol Theory and Charge Delocalization States.

1 reference

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1 reference

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1 reference

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1 reference

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Radical intermediates in monooxygenase reactions of rieske dioxygenases

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1 reference

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Dioxygenase-like reactivity of an isolable superoxo-nickel(II) complex

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Block-localized wavefunction (BLW) method at the density functional theory (DFT) level.

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1 reference

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Nonheme FeIVO complexes that can oxidize the C-H bonds of cyclohexane at room temperature.

1 reference

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1 reference

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Analysis of Reaction Channels for Alkane Hydroxylation by Nonheme Iron(IV)-Oxo Complexes

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3 December 2018

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3 December 2018

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1 reference

https://pubmed.ncbi.nlm.nih.gov/24124906

12 December 2020

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inferred from PubMed ID database lookup

Theoretical perspectives on proton-coupled electron transfer reactions

1 reference

https://pubmed.ncbi.nlm.nih.gov/24124906

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inferred from PubMed ID database lookup

Iron Chemistry of a Pentadentate Ligand That Generates a Metastable Fe(III)-OOH Intermediate

1 reference

https://pubmed.ncbi.nlm.nih.gov/24124906

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inferred from PubMed ID database lookup

No-barrier theory: calculating rates of chemical reactions from equilibrium constants and distortion energies

1 reference

https://pubmed.ncbi.nlm.nih.gov/24124906

12 December 2020

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inferred from PubMed ID database lookup

Hydrogen atom abstraction by a mononuclear ferric hydroxide complex: insights into the reactivity of lipoxygenase

1 reference

https://pubmed.ncbi.nlm.nih.gov/24124906

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A 1:1 copper-dioxygen adduct is an end-on bound superoxo copper(II) complex which undergoes oxygenation reactions with phenols

1 reference

https://pubmed.ncbi.nlm.nih.gov/24124906

12 December 2020

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1 reference

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12 December 2020

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1 reference

https://pubmed.ncbi.nlm.nih.gov/24124906

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based on heuristic

inferred from PubMed ID database lookup

Monooxygenase activity of type 3 copper proteins

1 reference

https://pubmed.ncbi.nlm.nih.gov/24124906

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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1 reference

https://pubmed.ncbi.nlm.nih.gov/24124906

12 December 2020

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1 reference

https://pubmed.ncbi.nlm.nih.gov/24124906

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The activation strain model of chemical reactivity

1 reference

https://pubmed.ncbi.nlm.nih.gov/24124906

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Exchange-enhanced reactivity in bond activation by metal-oxo enzymes and synthetic reagents

1 reference

https://pubmed.ncbi.nlm.nih.gov/24124906

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Density functional reactivity theory characterizes charge separation propensity in proton-coupled electron transfer reactions

1 reference

https://pubmed.ncbi.nlm.nih.gov/24124906

12 December 2020

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inferred from PubMed ID database lookup

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1 reference

https://pubmed.ncbi.nlm.nih.gov/24124906

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Selectivity and mechanism of hydrogen atom transfer by an isolable imidoiron(III) complex

1 reference

https://pubmed.ncbi.nlm.nih.gov/24124906

12 December 2020

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Proton-Coupled Electron Transfer Originating from Excited States of Luminescent Transition-Metal Complexes

1 reference

https://pubmed.ncbi.nlm.nih.gov/24124906

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based on heuristic

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Comparative reactivity of ferric-superoxo and ferryl-oxo species in heme and non-heme complexes

1 reference

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12 December 2020

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Mechanisms of activation of phenacetin to reactive metabolites by cytochrome P-450: a theoretical study involving radical intermediates

1 reference

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Does hydrogen-bonding donation to manganese(IV)-oxo and iron(IV)-oxo oxidants affect the oxygen-atom transfer ability? A computational study

1 reference

https://pubmed.ncbi.nlm.nih.gov/24124906

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based on heuristic

inferred from PubMed ID database lookup

Valence Bond Diagrams and Chemical Reactivity

1 reference

https://pubmed.ncbi.nlm.nih.gov/24124906

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based on heuristic

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Roles of efficient substrates in enhancement of peroxidase-catalyzed oxidations

1 reference

https://pubmed.ncbi.nlm.nih.gov/24124906

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based on heuristic

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Proton-coupled electron transfer

1 reference

https://pubmed.ncbi.nlm.nih.gov/24124906

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based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1021/JA408073M

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

PMC publication ID

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

PubMed publication ID

1 reference

Europe PubMed Central

PMC publication ID

20 August 2017

ResearchGate publication ID

0 references

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