Abstract

The hydroxyl- and pyridyl-functionalized diiron azadithiolate complexes [{(μ-SCH 2) 2N(CH 2CH 2OH)}Fe 2(CO) 6] ( 1) and [{(μ-SCH 2) 2N(CH 2CH 2OOCPy)}Fe 2(CO) 6] (Py = pyridyl) ( 2) were prepared as biomimetic models of the active site of Fe-only hydrogenases. Both complexes were characterized by MS, IR, 1H NMR spectra and elemental analysis. The molecular structures of 1 and 2 were determined by single crystal X-ray analysis. A network is constructed by intermolecular H-bonds in the crystals of 1. An S⋯O intermolecular contact was found in the crystals of 2, which is scarcely found for organometallic complexes. Cyclic voltammograms of 1 and 2 were studied to evaluate their redox properties.

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