Developing catalysts for hydrogen evolution reactions is gaining rapid attention as global environmental concerns rise. A novel series of aromatically bridged synthetic analogues of the enzymatic active site of [Fe-Fe]-hydrogenase were compared and contrasted in regard to their catalytic rates, overpotentials, and mechanism for hydrogen production. The electrochemical behavior of each catalyst was investigated in acetonitrile and catalytic studies were conducted with the addition of acetic acid. Similar catalytic rates were observed between several of the analogues studied and platinum under equivalent conditions. The mechanism for catalysis was proposed based on the electrochemical catalysis experiments and density functional computations. Trends observed during these studies provided direction for a computational screening process which gave rise to promising candidates for synthesis and characterization.<br/>

Electrochemical and computational investigation of aromatically bridged [2Fe-2S] clusters for electrocatalytic hydrogen production

2019 Fall National Meeting

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