DFT Studies on the Mechanism of Copper-Catalyzed Boracarboxylation of Alkene with CO2 and Diboron
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https://figshare.com/articles/dataset/DFT_Studies_on_the_Mechanism_of_Copper-Catalyzed_Boracarboxylation_of_Alkene_with_CO_sub_2_sub_and_Diboron/7539890
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DFT calculations have been carried out to study the reaction mechanism of copper-catalyzed three-component boracarboxylation 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.
创建时间：
2019-01-02
