Chemical and spectroscopic evidence for an FeV-oxo complex

Science. 2007 Feb 9;315(5813):835-8. doi: 10.1126/science.1133417. Epub 2006 Dec 21.

Abstract

Iron(V)-oxo species have been proposed as key reactive intermediates in the catalysis of oxygen-activating enzymes and synthetic catalysts. Here, we report the synthesis of [Fe(TAML)(O)]- in nearly quantitative yield, where TAML is a macrocyclic tetraamide ligand. Mass spectrometry, Mössbauer, electron paramagnetic resonance, and x-ray absorption spectroscopies, as well as reactivity studies and density functional theory calculations show that this long-lived (hours at -60 degrees C) intermediate is a spin S = 1/2 iron(V)-oxo complex. Iron-TAML systems have proven to be efficient catalysts in the decomposition of numerous pollutants by hydrogen peroxide, and the species we characterized is a likely reactive intermediate in these reactions.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Catalysis
  • Chemical Phenomena
  • Chemistry, Physical
  • Electron Spin Resonance Spectroscopy
  • Iron Compounds / chemistry*
  • Ligands
  • Macrocyclic Compounds / chemistry*
  • Molecular Conformation
  • Oxidation-Reduction
  • Spectrometry, Mass, Electrospray Ionization
  • Spectroscopy, Mossbauer
  • Spectrum Analysis
  • X-Rays

Substances

  • Iron Compounds
  • Ligands
  • Macrocyclic Compounds
  • iron-3,3,6,6,9,9-hexamethyl-3,4,8,9-tetrahydro-1H-1,4,8,11-benzotetraazacyclotridecine-2,5,7,10(6H,11H)-tetraone