The ideal catalyst for the coupling reaction of CO₂ with epoxides is expected to have comprehensive advantages. An appealing ionic liquid, C[CMImBrTMG]₂, with multiple active centers is synthesized to accomplish several goals in a single-component catalyst to adsorb CO₂ and afford the robust electrophilic and nucleophilic groups. The 98.5 % yield of chloropropylene carbonate (CPC) is achieved at 50 °C under 1 bar CO₂ pressure during 6 h. Moreover, C[CMImBrTMG]₂ is easy to be simply separated from the catalytic system by washing with ethyl acetate. A new reaction mechanism is constructed by the density functional theory (DFT) along with the ¹³C NMR confirmation. The contribution of critical groups in C[CMImBrTMG]₂ to the catalytic performance is further elucidated by the electrostatic potential (ESP), atoms in molecule (AIM), and electron localization function (ELF).

期望用于CO ₂与环氧化物的偶联反应的理想催化剂具有综合优势。合成了具有多个活性中心的吸引人的离子液体C [CMImBrTMG] ₂，以在单组分催化剂中完成几个目标，以吸附CO ₂并提供坚固的亲电子基团和亲核基团。在50°C和1 bar CO ₂压力下，在6小时内，碳酸氯丙烯酯（CPC）的产率为98.5％。此外，通过用乙酸乙酯洗涤，C [CMImBrTMG] ₂易于从催化体系中简单分离。密度泛函理论（DFT）与¹³一起构造了一种新的反应机理1 H NMR确认。静电势（ESP），分子中的原子（AIM）和电子定位功能（ELF）进一步阐明了C [CMImBrTMG] ₂中关键基团对催化性能的贡献。