Models of high-valent intermediates of non-heme diiron alkane monooxygenases: Electronic structure of a bis(μ-oxo)diron(IV) complex with locally low-spin metal centers

Abhik Ghosh, Espen Tangen, Emmanuel Gonzalez, Lawrence Que

Research output: Contribution to journalArticle

15 Scopus citations

Abstract

Insight Into the electronic structures of I high-valent intermediates with the {FeIV2(μ-O)2} "diamond core" is provided by density theory calculations. These electronic structures are contrasted with nitrido-bridged heme dimers that contain metal centers with the same oxidation state. Such diamond-core intermediates might actually occur in the catalytic cycles of diiron alkane monooxygenases such as AlkB.

Original languageEnglish (US)
Pages (from-to)834-838
Number of pages5
JournalAngewandte Chemie - International Edition
Volume43
Issue number7
DOIs
StatePublished - Feb 6 2004

Keywords

  • Density functional calculations
  • Iron
  • O ligands
  • Porphyrinoids

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