An insight into the protonation property of a diiron azadithiolate complex pertinent to the active site of Fe-only hydirogenases

• Protonation of [{(mu-SCH2)(2)N(C6H4-p-NO2)}{Fe(CO)(2)(PMe3)}(2)] in the presence of 4 equiv. of HOTf afforded two species, a mu-hydride diiron complex, the molecular structure of which was crystallographically characterized, and a p-S-protonated species, which was readily deprotonated in the presence of pyridine.

Nyckelord

density-functional calculations

model complexes

hydrogen evolution

bridging ligand

iron

mimics

activation

dihydrogen

mechanism

h-2

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