Computational study on the reactivity of imidazolium-functionalized manganese bipyridyl tricarbonyl electrocatalysts [Mn[bpyMe(Im-R)](CO)3Br]+ (R = Me, Me2 and Me4) for CO2-to-CO conversion over H2 formation

We have recently reported a series of imidazolium-functionalized manganese bipyridyl tricarbonyl electrocatalysts, [Mn[bpyMe(Im-R)](CO)3Br]+ (R = Me, Me2, and Me4), for CO2-to-CO conversion in the presence of H2O as the proton source [J. Am. Chem. Soc., 2019, 141, 6569]. These catalysts feature slig...

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