【作者单位】1. School of Chemistry and Materials Science, Shanxi Normal University, Linfen, 041004, China 2. Department of Chemistry, Taiyuan Normal University, Taiyuan, 030031, China
【摘要】 The mechanistic details of N-heterocyclic olefin-catalyzed formation of cyclic carbonate from CO2 and propargylic alcohols were investigated by DFT calculations. Six mechanisms, four for the formation of five-membered cyclic carbonate (M-A, M-B, M-B'...
