An octahedral coordination complex of iron(VI)

Science. 2006 Jun 30;312(5782):1937-41. doi: 10.1126/science.1128506. Epub 2006 Jun 1.

Abstract

The hexavalent state, considered to be the highest oxidation level accessible for iron, has previously been found only in the tetrahedral ferrate dianion, FeO4(2-). We report the photochemical synthesis of another Fe(VI) compound, an octahedrally coordinated dication bearing a terminal nitrido ligand. Mössbauer and x-ray absorption spectra, supported by density functional theory, are consistent with the octahedral structure having an FeN triple bond of 1.57 angstroms and a singlet d2(xy) ground electronic configuration. The compound is stable at 77 kelvin and yields a high-spin Fe(III) species upon warming.

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

  • Chemical Phenomena
  • Chemistry, Physical
  • Cold Temperature
  • Electrochemistry
  • Iron / chemistry*
  • Isomerism
  • Models, Molecular
  • Molecular Structure
  • Nitrogen / chemistry
  • Organometallic Compounds / chemistry*
  • Oxidation-Reduction
  • Photochemistry
  • Photolysis
  • Spectrophotometry, Infrared
  • Spectroscopy, Mossbauer
  • Spectrum Analysis

Substances

  • Organometallic Compounds
  • Iron
  • Nitrogen