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

Deepa Janardanan; Yong Wang; Patric Schyman; Lawrence Que; Sason Shaik

doi:10.1002/anie.201000004

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

Deepa Janardanan
, Yong Wang
, Patric Schyman
, Lawrence Que
, Sason Shaik

Chemistry (Twin Cities)

Research output: Contribution to journal › Article › peer-review

126 Scopus citations

Abstract

(Chemical Equation Presented) High five: H-abstraction reactivity by oxo iron(IV) complexes with a quintet ground state is greatly enhanced by exchange stabilization arising from the increased number of d-d exchange interactions near the transition state (see picture). It is postulated that nonheme enzymes evolved to make use of this fundamental mechanism in activation of strong C-H bonds.

Original language	English (US)
Pages (from-to)	3342-3345
Number of pages	4
Journal	Angewandte Chemie - International Edition
Volume	49
Issue number	19
DOIs	https://doi.org/10.1002/anie.201000004
State	Published - Apr 26 2010

Keywords

Bioinorganic chemistry
Density functional calculations
Iron
Metalloenzymes
Oxido ligands

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10.1002/anie.201000004

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abstract = "(Chemical Equation Presented) High five: H-abstraction reactivity by oxo iron(IV) complexes with a quintet ground state is greatly enhanced by exchange stabilization arising from the increased number of d-d exchange interactions near the transition state (see picture). It is postulated that nonheme enzymes evolved to make use of this fundamental mechanism in activation of strong C-H bonds.",

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AU - Wang, Yong

AU - Schyman, Patric

AU - Que, Lawrence

AU - Shaik, Sason

PY - 2010/4/26

Y1 - 2010/4/26

N2 - (Chemical Equation Presented) High five: H-abstraction reactivity by oxo iron(IV) complexes with a quintet ground state is greatly enhanced by exchange stabilization arising from the increased number of d-d exchange interactions near the transition state (see picture). It is postulated that nonheme enzymes evolved to make use of this fundamental mechanism in activation of strong C-H bonds.

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KW - Bioinorganic chemistry

KW - Density functional calculations

KW - Iron

KW - Metalloenzymes

KW - Oxido ligands

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JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

IS - 19

ER -

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

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