Dinuclear iron isonitrile complexes: models for the iron hydrogenase active site

Inorg Chem. 2003 Jul 14;42(14):4288-92. doi: 10.1021/ic034334b.

Abstract

Reaction of Fe(2)(mu-S(2)C(3)H(6))(CO)(6) (1) with 2 equiv of t-BuNC affords a disubstitued species Fe(2)(mu-S(2)C(3)H(6))(CN-t-Bu)(2)(CO)(4) (2). The structure of 2 has been determined by X-ray crystallography, which shows that in the solid state both isonitrile ligands are cis to sulfur. In solution, NMR and IR spectroscopy suggest that multiple isomers are present. Protonation of 2 occurs at the Fe-Fe bond to give a cationic complex 3 as four different isomeric species. Complex 3 does not react with deuterium gas (98 psi) in the absence of light. Irradiation of solutions of 3 with visible light under D(2) gas leads to formation of HD.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Crystallography, X-Ray
  • Deuterium / chemistry
  • Hydrogenase / chemistry*
  • Indicators and Reagents
  • Iron-Sulfur Proteins / chemistry*
  • Isomerism
  • Ligands
  • Magnetic Resonance Spectroscopy
  • Methylene Chloride
  • Models, Molecular
  • Molecular Conformation
  • Nitriles / chemistry*
  • Organometallic Compounds / chemistry*
  • Protons
  • Spectrophotometry, Infrared

Substances

  • Indicators and Reagents
  • Iron-Sulfur Proteins
  • Ligands
  • Nitriles
  • Organometallic Compounds
  • Protons
  • Methylene Chloride
  • Deuterium
  • iron hydrogenase
  • Hydrogenase