[FeFe] hydrogenase active site modeling: a key intermediate bearing a thiolate proton and Fe hydride

Chem Commun (Camb). 2013 May 25;49(42):4743-5. doi: 10.1039/c3cc39008j.

Abstract

The first di-protonated [FeFe] hydrogenase model relevant to key intermediates in catalytic hydrogen production is reported. The complex bearing the S-proton and Fe-hydride is structurally and spectroscopically characterized as well as studied by DFT calculations. The results show that the thiolate sulfur can accept protons during the catalytic routes.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Catalysis
  • Catalytic Domain
  • Hydrogenase / chemistry*
  • Iron Compounds / chemistry*
  • Models, Molecular*
  • Protons*
  • Sulfur Compounds / chemistry*

Substances

  • Iron Compounds
  • Protons
  • Sulfur Compounds
  • Hydrogenase