Abstract
The reaction of [Fe2(CO)6(μ-toluene-3, 4-benzenedithiolate)] 1 and bidentate diphosphine, 1, 1′-bis(diphenylphosphino)ferrocene (dppf) has been studied. New complexes obtained have been characterized by various spectroscopic techniques as bioinspired models of the iron hydrogenase active site. The crystal structure of [Fe2(CO)5(κ 1-dppfO)(μ-toluene-3, 4-benzenedithiolate)] 4 is reported. New iron carbonyl complexes were synthesized from the reaction of [Fe2(CO)6(μ-toluene-3, 4-benzenedithiolate)] 1 and bidentate diphosphine, 1, 1’-bis(diphenylphosphino)ferrocene (dppf). Complex 2 was catalytically active towards proton reduction in presence of acetic acid. Based on DFT calculations the HOMO and LUMO in complex 2 were found to be localized on the Fe centers of the two {Fe2S2} units.
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