Electrochemical, structural and computational study of a diiron hydrogenase active site mimic for the catalytic production of hydrogen, [(μ-3,4-thiophenedithiolato)][Fe(CO)3]2

Laura M.S. Whelan, Gabriel B. Hall, Natalie V.M. Hernandez, Dennis H. Evans, Richard S. Glass, Dennis L. Lichtenberger

Research output: Contribution to journalConference articlepeer-review

Abstract

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.

Original languageEnglish (US)
JournalACS National Meeting Book of Abstracts
StatePublished - 2011
Event241st ACS National Meeting and Exposition - Anaheim, CA, United States
Duration: Mar 27 2011Mar 31 2011

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)

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