An EPR/ENDOR, Mössbauer, and quantum chemical investigation of diiron complexes mimicking the active oxidized state of [FeFe]hydrogenase

Silakov, A., Olsen, M. T., Sproules, S. , Reijerse, E. J., Rauchfuss, T. B. and Lubitz, W. (2012) An EPR/ENDOR, Mössbauer, and quantum chemical investigation of diiron complexes mimicking the active oxidized state of [FeFe]hydrogenase. Inorganic Chemistry, 51(15), pp. 8617-8628. (doi:10.1021/ic3013766)

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Abstract

We present a study of two compounds closely resembling the active site of [FeFe]hydrogenase, which catalyzes the reversible heterolytic splitting of molecular hydrogen. Utilizing Mössbauer and advanced electron paramagnetic resonance techniques, we were able to resolve the electronic structure of these model compounds in great detail. The experimental results are also compared with quantum-chemical calculations in order to gain more insight into their electronic properties. The obtained data allow us to better understand the function of the native hydrogen catalyst.

Item Type:Articles
Status:Published
Refereed:Yes
Glasgow Author(s) Enlighten ID:Sproules, Dr Stephen
Authors: Silakov, A., Olsen, M. T., Sproules, S., Reijerse, E. J., Rauchfuss, T. B., and Lubitz, W.
College/School:College of Science and Engineering > School of Chemistry
Journal Name:Inorganic Chemistry
Publisher:American Chemical Society
ISSN:0020-1669
ISSN (Online):1520-510X

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