Experiment and theory reveal the fundamental difference between two-state and single-state reactivity patterns in nonheme FeIV=O versus Ru IV=O oxidants

Sunder N. Dhuri, Sook Seo Mi, Yong Min Lee, Hajime Hirao, Yong Wang, Wonwoo Nam, Sason Shaik

Research output: Contribution to journalArticlepeer-review

68 Scopus citations

Abstract

(Chemical Equation Presented) Two-state reactivity involving close triplet ground and quintet excited states is responsible for the opposite reactivity trends of FeIV oxo complexes in O-transfer and H-abstraction reactions in dependence on the electron richness of the axial ligand X (see picture), as shown by comparison with RuIV analogues, in which both reactivities are solely governed by the electrophilicity of the complex because the quintet state is inaccessible.

Original languageEnglish
Pages (from-to)3356-3359
Number of pages4
JournalAngewandte Chemie - International Edition
Volume47
Issue number18
DOIs
StatePublished - 21 Apr 2008

Keywords

  • Bioinorganic chemistry
  • Iron
  • Oxo ligands
  • Reaction mechanisms
  • Ruthenium

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