Synthesis, characterization and DFT studies of 1, 1′-Bis(diphenylphosphino)ferrocene substituted diiron complexes: Bioinspired [FeFe] hydrogenase model complexes

Abstract

The reaction of [Fe 2 (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 [Fe 2 (CO) 5 (κ 1 -dppfO)(μ-toluene-3, 4-benzenedithiolate)] 4 is reported. [Figure not available: see fulltext.]