Paramagnetic Active Site Models for the Molybdenum−Copper Carbon Monoxide Dehydrogenase Academic Article uri icon


  • New paramagnetic, heterobimetallic Mo/Cu complexes featuring the Mo(=O)(mu-S)Cu core of O. carboxidovorans carbon monoxide dehydrogenase have been synthesized and structurally and spectroscopically characterized. The complexes exhibit EPR spectra (left graphic) indicative of extensive electron delocalization across the Mo-S-Cu core, in agreement with computational studies identifying the singly-occupied molecular orbital (right graphic).


  • Gourlay, Craig
  • Nielsen, David J
  • White, Jonathan M
  • Knottenbelt, Sushilla Z
  • Kirk, Martin L
  • Young, Charles G

publication date

  • February 2006