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A green catalysis of CO2 fixation to aliphatic cyclic carbonates by a new ionic liquid system

机译:新型离子液体系统绿色催化CO2固定在脂族环状碳酸酯上

摘要

A mixed ionic liquid system has been developed for the efficient catalysis of CO2 addition to aliphatic epoxides without involving any transition metal catalysts or other additives. The ionic liquid integrated with pyridinium and pyrrolidinium groups (1·(Br)3) together with a non-polar ionic liquid (3·(Ntf)2) effectively transformed non-polar aliphatic epoxides to cyclic carbonates by the reaction with CO 2 under mild CO2 pressure (3.0 MPa) and reaction temperature (80 C). The presence of 3·(Ntf)2 remarkably improved the catalytic activity of 1·(Br)3 towards non-polar epoxides by increasing the miscibility of catalyst with the substrates. The mixed ionic liquid system is robust enough to be recycled without any significant loss of catalytic activity. GC-MS studies were performed to reveal the reaction pathways to the cyclic carbonates and a feasible model accounting for the effective CO2 activation in the ionic liquid system was proposed using density functional theory (DFT) calculations.
机译:已开发出一种混合离子液体系统,可有效催化向脂肪族环氧化物中添加CO2,而无需涉及任何过渡金属催化剂或其他添加剂。与吡啶鎓和吡咯烷鎓基团(1·(Br)3)结合在一起的离子液体与非极性离子液体(3·(Ntf)2)可以通过与CO 2的反应在90℃下有效地将非极性脂肪族环氧化物转化为环状碳酸酯。温和的CO2压力(3.0 MPa)和反应温度(80 C)。 3·(Ntf)2的存在通过增加催化剂与底物的混溶性而显着提高了1·(Br)3对非极性环氧化物的催化活性。混合离子液体系统足够坚固,可以循环使用,而催化活性没有任何重大损失。进行了GC-MS研究,揭示了环状碳酸酯的反应途径,并使用密度泛函理论(DFT)计算,提出了一个解释离子液体系统中有效CO2活化的可行模型。

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