Synthesis, gas-phase photoelectron spectroscopic and theoretical studies of stannylated dinuclear iron dithiolates

Hydrogenases catalyze the production and uptake of dihydrogen and are of interest as catalysts in the use of H ₂ as a fuel both in its production and consumption in fuel cells. Chemical models for the active site [Fe]-hydrogenase are studied to provide insight into the catalytic mechanism for the enzyme. An accepted mechanism of hydrogen production involves protonation of the iron-iron bond, which is most effective in models containing electron-donating cyanide and phosphine ligands. The greater electon density imparted upon sulfur by a neighboring stannyl group is proposed to have a similar effect without the need for these ligands. This is an abstract of a paper presented at the 229th ACS National Meeting (San Diego, CA 3/13-17/2005).