Computational Study for CO2-to-CO Conversion over Proton Reduction Using [Re[bpyMe(Im-R)](CO)3Cl]+ (R = Me, Me2, and Me4) Electrocatalysts and Comparison with Manganese Analogues.
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ABSTRACT: The Nippe group has previously reported a series of imidazolium-functionalized rhenium bipyridyl tricarbonyl electrocatalysts, [Re[bpyMe(Im-R)]-(CO)3Cl]+ (R = Me and Me2), for CO2-to-CO conversion using H2O as the proton source [Sung, S.; Kumar, D., et al. Electrocatalytic CO2 Reduction by Imidazolium-Functionalized Molecular Catalysts. J. Am. Chem. Soc. 2017, 139, 40, 13993-13996. 10.1021/jacs.7b07709]. These compounds feature charged imidazolium ligands in the secondary coordination sphere and exhibit higher catalytic activities as compared to the Lehn catalyst [Re(bpy)(CO)3Cl] (where bpy = 2,2'-bipyridine). However, the reaction mechanism for the CO2 reduction reaction (CO2<
SUBMITTER: Li X
PROVIDER: S-EPMC9973667 | biostudies-literature | 2021 Nov
REPOSITORIES: biostudies-literature
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