Competitive carbon and oxygen kinetic isotope effects on CO2 reduction reactions catalyzed by rhenium and ruthenium complexes are examined here as a means to formulate mechanisms of metal–CO2 bond formation and C-O bond cleavage. The findings reported here support and extend current mechanistic proposals. It is shown how density functional theory calculations, when performed in tandem with experiments, can constrain mechanisms of catalytic carbon dioxide and help discriminate between them.

Competitive heavy atom kinetic isotope effects expose bond forming steps in carbon dioxide reduction catalysis by transition metal complexes

251st National Meeting (2016)

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