Two faces of a biomimetic non-heme HO-FeV=O oxidant: Olefin epoxidation versus cis-dihydroxylation

Arianna Bassan, Margareta R.A. Blomberg, Per E.M. Siegbahn, Lawrence Que

Research output: Contribution to journalArticlepeer-review

86 Scopus citations

Abstract

(Figure Presented) Reactivity along two channels is shown by the HO-Fe V=O species responsible for Fe(tpa)-catalyzed olefin oxidation (tpa = tris(2-pyridylmethyl)amine). Attack of the oxo ligand on an olefinic carbon atom yields epoxide and attack of the hydroxo ligand affords cis-diol (see scheme). Hybrid density functional theory now demonstrates that the two processes have comparable activation energies.

Original languageEnglish (US)
Pages (from-to)2939-2941
Number of pages3
JournalAngewandte Chemie - International Edition
Volume44
Issue number19
DOIs
StatePublished - May 6 2005

Keywords

  • Density functional calculations
  • Dihydroxylation
  • Enzyme models
  • Epoxidation
  • Iron

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