Isolation, observation, and computational modeling of proposed intermediates in catalytic proton reductions with the hydrogenase mimic Fe2(CO)6S2C6H4

Isolation, observation, and computational modeling of proposed intermediates in catalytic proton reductions with the hydrogenase mimic Fe2(CO)6S2C6H4:

Dalton Trans., 2012, Advance Article
DOI: 10.1039/C1DT11428J, Paper

Robert J. Wright, Wei Zhang, Xinzheng Yang, Meg Fasulo, T. Don Tilley
Proposed proton reduction intermediates were synthesized and studied computationally, which suggests protonation first at iron and then thiolate. This species then undergoes an intramolecular acid-base reaction to form hydrogen.
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