Electronic structure description of the mu(4)-sulfide bridged tetranuclear Cu(Z) center in N(2)O reductase

J Am Chem Soc. 2002 Feb 6;124(5):744-5. doi: 10.1021/ja0169623.

Abstract

Spectroscopy coupled with density functional calculations has been used to define the spin state, oxidation states, spin distribution, and ground state wave function of the mu4-sulfide bridged tetranuclear CuZ cluster of nitrous oxide reductase. Initial insight into the electronic contribution to N2O reduction is developed, which involves a sigma superexchange pathway through the bridging sulfide.

Publication types

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

MeSH terms

  • Circular Dichroism
  • Copper / chemistry*
  • Electron Spin Resonance Spectroscopy
  • Molecular Structure
  • Oxidoreductases / chemistry*
  • Spectrometry, X-Ray Emission / methods
  • Sulfides / chemistry*

Substances

  • Sulfides
  • Copper
  • Oxidoreductases
  • nitrous oxide reductase