TY - JOUR
T1 - 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
AU - Whelan, Laura M.S.
AU - Hall, Gabriel B.
AU - Hernandez, Natalie V.M.
AU - Evans, Dennis H.
AU - Glass, Richard S.
AU - Lichtenberger, Dennis L.
PY - 2011
Y1 - 2011
N2 - 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.
AB - 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.
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M3 - Conference article
AN - SCOPUS:80051901768
SN - 0065-7727
JO - ACS National Meeting Book of Abstracts
JF - ACS National Meeting Book of Abstracts
T2 - 241st ACS National Meeting and Exposition
Y2 - 27 March 2011 through 31 March 2011
ER -