A new functional mimic, [(μ-3,4-thiophenedithiolato)][Fe(CO)3]2, 1, of [FeFe]hydrogenase was prepared and characterized including using photoelectron spectroscopy, electrochemistry, and DFT computations. 1 has a semi-reversible two-electron reduction at -1.3 V and catalyzes reduction of protons from weak acid to produce hydrogen in acetonitrile at -1.9 V vs Fc+/Fc. 1 features unique structural distortions in forming a rotated cation 2 as well as dianion 3. The behavior is compared and contrasted with that of the analogous [(μ-1,2-benzenedithiolato)][Fe(CO)3]2.
ASJC Scopus subject areas
- Chemical Engineering(all)