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Imidazolium ionic liquids/organic bases: Efficient intermolecular synergistic catalysts for the cycloaddition of CO2 and epoxides under atmospheric pressure
Molecular Catalysis ( IF 4.6 ) Pub Date : 2018-01-04 , DOI: 10.1016/j.mcat.2017.12.026
Liangzheng Ji , Zhoujie Luo , Yongya Zhang , Rong Wang , Yayan Ji , Fei Xia , Guohua Gao

An intermolecular synergistic catalytic system consisting of ionic liquids and organic bases is developed for the cycloaddition of CO2 and epoxides. This strategy realizes the cycloaddition takes place under atmospheric pressure of CO2 with high activity. NMR, FT-IR spectroscopy and DFT calculations are applied to investigate the synergistic effect and reaction mechanism on molecules. Plausible ionic liquids/secondary amines and ionic liquids/tertiary amines catalyzed mechanisms are proposed and further confirmed by more detailed DFT calculations including reaction pathways and energy profiles, respectively. The procedure reported here represents a facile, cost-effective and energy-efficient route for chemical fixation of CO2 into 5-membered cyclic carbonates.



中文翻译:

咪唑鎓离子液体/有机碱:在大气压下高效CO 2和环氧化物的分子间协同催化剂

建立了由离子液体和有机碱组成的分子间协同催化体系,用于CO 2和环氧化物的环加成反应。该策略实现了在高活性CO 2的大气压下进行环加成反应。核磁共振,傅立叶变换红外光谱和DFT计算用于研究分子的协同效应和反应机理。提出了可行的离子液体/仲胺和离子液体/叔胺催化的机理,并通过更详细的DFT计算(分别包括反应途径和能量分布)进一步证实了这一点。此处报告的程序代表了化学固定CO 2的便捷,经济高效且节能的途径 成五元环状碳酸酯

更新日期:2018-01-04
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