Journal
ORGANOMETALLICS
Volume 38, Issue 2, Pages 240-247Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.organomet.8b00680
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Funding
- Research Grants Council of Hong Kong [HKUST 16303614, 16304416, 16304017]
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DFT calculations have been carried out to study the reaction mechanism of copper-catalyzed three-component boracar-boxylation of alkene with CO2 and diboron. The competing reaction pathways involving two components have also been investigated for comparison. Through this theoretical study deep mechanistic insight on this multicomponent reaction is provided.
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