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Title: Mechanistic Insights into Hydride Transfer for Catalytic Hydrogenation of CO2 with Cobalt Complexes

The catalytic hydrogenation of CO2 to formate by Co(dmpe)2H can proceeds via direct hydride transfer or via CO2 coordination to Co followed by reductive elimination of formate. Both pathways have activation barriers consistent with experiment (~17.5 kcal/mol). Controlling the basicity of Co by ligand design is key to improve catalysis. The research by N.K., D.M.C. and A.M.A. was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. The research by S.R. and M.D. was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for the DOE by Battelle.
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Publication Date:
OSTI Identifier:
Report Number(s):
KC0302010; KC0307010
DOE Contract Number:
Resource Type:
Journal Article
Resource Relation:
Journal Name: Dalton Transactions, 43(31):11803-11806
Research Org:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org:
Country of Publication:
United States