Electrocatalytic dihydrogen evolution mechanism of [Fe2(CO)4(κ2-Ph2PCH2CH2PPh2)(μ-S(CH2)3S)] and related models of the [FeFe]-hydrogenases active site: a DFT investigation

Claudio Greco, Piercarlo Fantucci, Luca De Gioia, Ricardo Suarez-Bertoa, Maurizio Bruschi, Jean Talarmin, Philippe Schollhammer
  • Dalton Transactions, January 2010, Royal Society of Chemistry
  • DOI: 10.1039/b926040d