【Molecular Catalysis】Insight into performance of lactam-based Bronsted-acidic catalysts for Prins condensation and their self-separation in water
作者：Yanlong Qi, Fengchao Cui, Janyun He, Long Cui, Yunqi Li, Quanquan Daia, Chenxi Bai*
關(guān)鍵字：Lactam-based catalysts; DFT calculation; Prins condensation pathway; Self-separation
論文來(lái)源：期刊
發(fā)表時(shí)間：2018年
A series of lactam-based Br?nsted-acidic catalysts were prepared for Prins condensation with high efficiency and excellent reusability. We describe detailed investigations on the impact of N-cation from lactam for the reaction and self-separation of catalysts. The experimental data suggested N-cation (organic molecule) played a significant and positive role in the selectivity of Prins condensation, which was confirmed by density functional theory (DFT) calculation with new intermediate. It revealed that N-cation with C O group can not only stabilize intermediate by sharing electron but also transfer proton between two kind of active centers (N+ and C+). Moreover, for self-separation of catalysts, a possible principle was proposed, which can be owed to different solubility of the catalysts at different temperature and partition coefficient of N-cation in oil/water system, both of which resulted from lactam molecules