The ionic liquid chlorination (1-amino-2-propyl alcohol)-3-buthylimidazole containing amino and hydroxy from the difunctional group is newly synthesized, the characterization of which is analyzed with NMR. It can catalyze CO₂ and propylene oxide (PO) under certain conditions for preparation of propylene carbonate, with the conversion of 80.1% and the selectivity of 92.5%, which has superior performance to that of monoamino ionic liquid. The density functional theory and the quantum theory of atoms in molecules are adopted to theoretically analyze the stable structure and interactive relationship. According to the results of quantum chemical calculation, it is concluded that the functional groups of amino and hydroxy on IL are coupled with PO to generate hydrogen bond, based on which the mechanism of cycloaddition reaction can be inferred.

中文翻译：

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离子液体催化制备碳酸亚丙酯

新合成了含有双官能团氨基和羟基的离子液体氯化（1-氨基-2-丙醇）-3-丁二咪唑，其特征用NMR进行了分析。它可以催化CO ₂在一定条件下制得碳酸丙烯酯，其转化率为80.1％，选择性为92.5％，性能优于单氨基离子液体。采用分子中原子的密度泛函理论和量子理论对分子的稳定结构和相互作用关系进行了理论分析。根据量子化学计算的结果，可以得出结论：IL上的氨基和羟基官能团与PO偶联生成氢键，从而可以推断出环加成反应的机理。