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

Research output: Contribution to journalArticlepeer-review

93 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 languageEnglish (US)
Pages (from-to)3342-3345
Number of pages4
JournalAngewandte Chemie - International Edition
Volume49
Issue number19
DOIs
StatePublished - Apr 26 2010

Keywords

  • Bioinorganic chemistry
  • Density functional calculations
  • Iron
  • Metalloenzymes
  • Oxido ligands

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