Dan DuBois taught us principles that have a pervasive influence on our ability to rationally design molecular catalysts.  Two key issues emphasized in his work are careful consideration of thermodynamics and using pendant amines as proton relays.  While much of the work has focused on nickel complexes, the principles apply to other metals as well.  Organometallic Fe(II) complexes derived from CpFe(diphosphine)H, with pendant amines in the diphosphine ligands, mimic the reactivity of [FeFe]-hydrogenase enzymes, leading to heterolytic cleavage of the H-H bond. Manganese complexes with pendant amines in the diphosphine ligand have been designed that are capable of very rapid, reversible, heterolytic cleavage of H2. Electrocatalysts based on inexpensive, earth-abundant metals (�Cheap Metals for Noble Tasks�) are needed since low-temperature fuel cells for oxidation of H2 generally use platinum, an expensive, precious metal. Both the Fe and Mn complexes catalyze the oxidation of H2 at 1 atm at room temperature.

Electrocatalytic oxidation of H<sub>2</sub> by Fe and Mn complexes

245th National Meeting (2013)

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Electrocatalytic oxidation of H2 by Fe and Mn complexes

Electrocatalytic oxidation of H₂ by Fe and Mn complexes