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

Inorganics

Hassan Abul-Futouh¹  Wolfgang Weigand²  LaithR. Almazahreh²  Wolfgang Imhof³ 

[1] Department of Pharmacy, Al-Zaytoonah University of Jordan, P.O. Box 130, Amman 11733, Jordan;Institut für Anorganische und Analytische Chemie, Friedrich-Schiller-Universität Jena, Humboldt Str. 8, 07743 Jena, Germany;Institut für Integrierte Naturwissenschaften, Universität Koblenz-Landau, Universitätsstr. 1, D-56070 Koblenz, Germany;

关键词: [FeFe]-hydrogenase;    cyclic voltammetry;    catalysis;    hydrogen production;    DFT calculations;   

DOI  :  10.3390/inorganics7040050

来源: DOAJ

【 摘 要 】

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 E_1/2 = −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.

【 授权许可】

Unknown