Nonheme oxo-iron(IV) intermediates form an oxyl radical upon approaching the C-H bond activation transition state (Q34534021)

2 August 2017

title

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

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2 August 2017

Frank Neese

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Shengfa Ye

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2 August 2017

language of work or name

English

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publication date

10 January 2011

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Proceedings of the National Academy of Sciences of the United States of America

2 August 2017

published in

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2 August 2017

volume

108

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2 August 2017

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2 August 2017

page(s)

1228-1233

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The crystal structure of a high-spin oxoiron(IV) complex and characterization of its self-decay pathway

2 August 2017

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Million-fold activation of the [Fe(2)(micro-O)(2)] diamond core for C-H bond cleavage

7 July 2018

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

7 July 2018

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

7 July 2018

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

7 July 2018

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Spectroscopic and quantum chemical studies on low-spin FeIV=O complexes: Fe-O bonding and its contributions to reactivity

7 July 2018

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The road to non-heme oxoferryls and beyond

7 July 2018

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Non-heme Fe(IV)-oxo intermediates

7 July 2018

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Reactivity of high-valent iron-oxo species in enzymes and synthetic reagents: a tale of many states

7 July 2018

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Spectroscopic and electronic structure studies of aromatic electrophilic attack and hydrogen-atom abstraction by non-heme iron enzymes

7 July 2018

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A two-state reactivity rationale for counterintuitive axial ligand effects on the C-H activation reactivity of nonheme FeIV=O oxidants

21 January 2018

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Propene activation by the oxo-iron active species of taurine/alpha-ketoglutarate dioxygenase (TauD) enzyme. How does the catalysis compare to heme-enzymes?

21 January 2018

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Steric hindrance effect of the equatorial ligand on Fe(IV)O and Ru(IV)O complexes: a density functional study.

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The first direct characterization of a high-valent iron intermediate in the reaction of an alpha-ketoglutarate-dependent dioxygenase: a high-spin FeIV complex in taurine/alpha-ketoglutarate dioxygenase (TauD) from Escherichia coli

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21 January 2018

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Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy.

21 January 2018

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Accurate Coulomb-fitting basis sets for H to Rn.

21 January 2018

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

21 January 2018

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Quantum chemical studies of C–H activation reactions by high-valent nonheme iron centers

21 January 2018

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Electronic structure and spectroscopy of “superoxidized” iron centers in model systems: theoretical and experimental trends

21 January 2018

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Efficient use of the resolution of the identity approximation in time-dependent density functional calculations with hybrid density functionals

21 January 2018

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Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange

21 January 2018

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Two-state reactivity in alkane hydroxylation by non-heme iron-oxo complexes

21 January 2018

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12 December 2020

Oxidative properties of FeO2+: electronic structure and solvation effects

1 reference

12 December 2020

Aqueous FeIV==O: spectroscopic identification and oxo-group exchange

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12 December 2020

What singles out the FeO2+ moiety? A density-functional theory study of the methane-to-methanol reaction catalyzed by the first row transition-metal oxide dications MO(H2O)(p)2+, M = V-Cu

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12 December 2020

Identifiers

DOI

10.1073/PNAS.1008411108

1 reference

release_adkhlagde5hmvbfigrkuqqfvtu

2 August 2017

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1 reference

Fatcat

https://api.fatcat.wiki/v0/release/adkhlagde5hmvbfigrkuqqfvtu

24 November 2022

mapped directly with Wikidata item

PMC publication ID

3029731

1 reference

2 August 2017

1 reference