Model Study of CO Inhibition of [NiFe]hydrogenase

Model Study of CO Inhibition of [NiFe]hydrogenase:

Inorganic Chemistry

DOI: 10.1021/ic200965t

We present a model study, using a NiRu H₂ase mimic, that demonstrates that (i) CO completely inhibits the catalytic cycle of the model compound, (ii) CO prefers to coordinate to the Ru^II center rather than taking an axial position on the Ni^II center, and (iii) CO is unable to displace a hydrido ligand from the NiRu center. We combine these studies with a reevaluation of previous studies to propose that, under normal circumstances, CO inhibits [NiFe]H₂ase by complexing to the Fe^II center.