%0 Journal Article
%T Electrochemical and Computational Insights into the Reduction of [Fe2(CO)6{¦Ì-(SCH2)2GeMe2}] Hydrogenase H-Cluster Mimic
%J Inorganics | An Open Access Journal from MDPI
%D 2019
%R https://doi.org/10.3390/inorganics7040050
%X The electrochemical reduction of the complex [Fe 2(CO) 6{ ¦Ì-(SCH 2) 2GeMe 2}] ( 1) under N 2 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 H 2 production on the basis of the cyclic voltammetry of complex 1 in presence of the strong acid CF 3SO 3H. View Full-Tex
%U https://www.mdpi.com/2304-6740/7/4/50