Journal
CATALYSIS SCIENCE & TECHNOLOGY
Volume 8, Issue 22, Pages 5735-5739Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c8cy01424h
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Funding
- National Natural Science Foundation of China [21673250, 21703256]
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A density functional theory study on hydrogenation of carbon dioxide to formate and formamide catalysed by a Mn bipyridinol complex reveals an unexpected metal-ligand cooperation mechanism with concerted two-proton transfer processes for the activation of diethylamine and formic acid, as well as the formation of formamide and water. Both ortho-O atoms in the bipyridinol ligand act as proton relay sites for the simultaneous transfer of two protons for the breaking of N-H and C-O bonds and the formation of a C-N bond.
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