[FeFe] hydrogenase active site modeling: a key intermediate bearing a thiolate proton and Fe hydride

The first di-protonated [FeFe] hydrogenase model relevant to key intermediates in catalytic hydrogen production is reported. The complex bearing the S-proton and Fe-hydride is structurally and spectroscopically characterized as well as studied by DFT calculations. The results show that the thiolate...

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Bibliographic Details
Published in:Chemical communications (Cambridge, England) England), 2013-05, Vol.49 (42), p.4743-4745
Main Authors: Liu, Yu-Chiao, Chu, Kai-Ti, Jhang, Ruei-Lin, Lee, Gene-Hsiang, Chiang, Ming-Hsi
Format: Article
Language:English
Subjects:
Catalysis
Catalytic Domain
Hydrogenase - chemistry
Iron Compounds - chemistry
Models, Molecular
Protons
Sulfur Compounds - chemistry
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Summary:The first di-protonated [FeFe] hydrogenase model relevant to key intermediates in catalytic hydrogen production is reported. The complex bearing the S-proton and Fe-hydride is structurally and spectroscopically characterized as well as studied by DFT calculations. The results show that the thiolate sulfur can accept protons during the catalytic routes.
ISSN:1359-7345
1364-548X
DOI:10.1039/c3cc39008j