Di-Iron Analogue of [FeFe]-Hydrogenase Active Site as a Molecular Electro-catalyst for Proton Reduction

With Me 3 NO being present, the ligand substitution reaction of [ (μ-dmedt){Fe (CO) 3 } 2 ] by 4,4′-bipyridine afforded a new diiron complex (μ-dmedt)Fe 2 (CO) 5 (4,4′-bipyridine) 1, which was detected using IR, 1 H NMR, elemental and MS analyses. Our electrochemical tests showed that compound 1 is capable to catalyze hydrogen production, which served as an efficient molecular electro-catalyst in the CH 3 CN solution or adsorbed on the surface of electrode for electrochemical generation of molecular hydrogen from HOAc or aqueous media. The relevance of these studies for designing efficient hydrogenase models lies in providing insights into the core of stereo-electronic features. Graphic Abstract A novel complex (μ-dmedt)Fe 2 (CO) 5 (4,4′-bipyridine) 1 bearing a functional groups have been prepared, which served as an efficient molecular electro-catalyst in the CH 3 CN solution or chemisorbed on the surface of electrode for electrochemical generation of molecular hydrogen from HOAC or aqueous media. Those will be of relevance to the natural system and crucial to the potential industrial application.