Physical Sciences and Mathematics Commons^™

Electrocatalytic Co2 Reduction By M(Bpy-R)(Co)4 (M = Mo, W; R = H, Tbu) Complexes. Electrochemical, Spectroscopic, And Computational Studies And Comparison With Group 7 Catalysts, Melissa L. Clark, Kyle A. Grice, Curtis E. Moore, Arnold L. Rheingold, Clifford P. Kubiak

Faculty Publications – College of Science and Health

The tetracarbonyl molybdenum and tungsten complexes of 2,2′-bipyridine and 4,4′-di-tert-butyl-2,2′-bipyridine (M(bpy-R)(CO)4; R = H, M = Mo (1), W (2); R = tBu, M = Mo (3), W (4)) are found to be active electrocatalysts for the reduction of CO2. The crystal structures of M(bpy-tBu)(CO)4 (M = Mo (3), W (4)), the singly reduced complex [W(bpy)(CO)4][K(18-crown-6] (5) and the doubly reduced complex [W(bpy-tBu)(CO)3][K(18-crown-6)]2 (6) are reported. DFT calculations have been used to characterize the reduced species from the reduction of W(bpy-tBu)(CO)4 (4). These compounds represent rare examples of group 6 electrocatalysts …