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Electrochemical and Computational Insights into the Reduction of [Fe2(CO)6{µ-(SCH2)2GeMe2}] Hydrogenase H-Cluster Mimic

Department of Pharmacy, Al-Zaytoonah University of Jordan, P.O. Box 130, Amman 11733, Jordan
Institut für Integrierte Naturwissenschaften, Universität Koblenz-Landau, Universitätsstr. 1, D-56070 Koblenz, Germany
Institut für Anorganische und Analytische Chemie, Friedrich-Schiller-Universität Jena, Humboldt Str. 8, 07743 Jena, Germany
ERCOSPLAN Ingenieurbüro Anlagentechnik GmbH, Arnstädter Straße 28, 99096 Erfurt, Germany
Authors to whom correspondence should be addressed.
Inorganics 2019, 7(4), 50;
Received: 8 February 2019 / Revised: 25 March 2019 / Accepted: 26 March 2019 / Published: 10 April 2019
(This article belongs to the Special Issue Binuclear Complexes)
The electrochemical reduction of the complex [Fe2(CO)6{µ-(SCH2)2GeMe2}] (1) under N2 and CO is reported applying cyclic voltammetry. Reduction of complex 1 in CO saturated solutions prevents the possible release of CO from the dianion 12−, while the latter reacts with additional CO forming a spectroscopically uncharacterized product P1. This product undergoes a reversible redox process at E1/2 = −0.70 V (0.2 V∙s−1). In this report, the structure of the neutral complex 1, isomers of dianionic form of 1, and P1 are described applying DFT computations. Furthermore, we propose reaction pathways for H2 production on the basis of the cyclic voltammetry of complex 1 in presence of the strong acid CF3SO3H. View Full-Text
Keywords: [FeFe]-hydrogenase; cyclic voltammetry; catalysis; hydrogen production; DFT calculations [FeFe]-hydrogenase; cyclic voltammetry; catalysis; hydrogen production; DFT calculations
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MDPI and ACS Style

Abul-Futouh, H.; Imhof, W.; Weigand, W.; Almazahreh, L.R. Electrochemical and Computational Insights into the Reduction of [Fe2(CO)6{µ-(SCH2)2GeMe2}] Hydrogenase H-Cluster Mimic. Inorganics 2019, 7, 50.

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