The 2Fe2S complex [(�-3,4-thiophenedithiolato)][Fe(CO)3]2, 1  , has been prepared and compared with the analogous complex [(�-1,2-benzenedithiolato)][Fe(CO)3]2, 2  , for the electrocatalytic production of hydrogen from acid. DFT computations indicate that both 1  and 2  have a variety of possible catalytic pathways depending on the strength of the acid present and the potential applied. Both 1  and 2  have a semi-reversible two-electron reduction at approximately -1.3 V and catalyze the reduction of protons from acetic acid to produce hydrogen in acetonitrile at about -1.9 V vs Fc+/Fc.

Electrocatalytic pathways of [(μ-3,4-thiophenedithiolato)][Fe(CO)3]2 compared to [(μ-1,2-benzenedithiolato)][Fe(CO)3]2 for the catalytic production of H2

245th National Meeting (2013)

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