A combined NRVS and DFT study of FeIV=O model complexes: A diagnostic method for the elucidation of non-heme iron enzyme intermediates

Caleb B. Bell, Shaun D. Wong, Yuming Xiao, Eric J. Klinker, Adam L. Tenderholt, Matt C. Smith, Jan Uwe Rohde, Larry Que, Stephen P. Cramer, Edward I. Solomon

Research output: Contribution to journalArticlepeer-review

35 Scopus citations

Abstract

(Figure Presented) In the swing of things: FeIV=O biomimetic model complexes (see picture, Fe green, O red, N blue, C black) have been characterized using nuclear vibrational resonance spectroscopy. Systematic trends in the low-energy region reflect equatorial and axial bonding differences that relate to differences in reactivity. These trends have been computationally extended to predict the spectra of putative FeIV=O intermediates in non-heme iron enzymes.

Original languageEnglish (US)
Pages (from-to)9071-9074
Number of pages4
JournalAngewandte Chemie - International Edition
Volume47
Issue number47
DOIs
StatePublished - Nov 10 2008

Keywords

  • Bioinorganic chemistry
  • Iron
  • Nuclear vibrational resonance spectroscopy
  • X-ray absorption spectroscopy

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