Quaternary ammonium-based ionic liquid bearing a different number of hydroxyl groups as highly effic

• 作 者: Huiqing Yang Xin Wang Yuan Ma Li Wang Jinglai Zhang
• 机 构: Institute of Environmental and Analytical Sciences,College of Chemistry and Chemical Engineering,Hen
• 出 处: 第五届亚太离子液体与绿色过程会议(The 5 th Asian-Pacific Conference on Ionic
• 发表日期: 2016年10期

　　The mechanism of coupling reactions of carbon dioxide(CO2)with propylene oxide(PO)catalyzed by a series of hydroxyl-functionalized quaternary ammonium-based ionic liquid(IL)is investigated by the combination of density functional theory(DFT)and molecular dynamics(MD)methods.