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采用N-甲基咪唑、溴乙烷、AlCl3常规回流法以及微波法合成离子液体,研究[EMIM]Br中间体的产率;采用量子化学方法计算离子液体结构,明确合成反应的机理;通过紫外光谱和红外光谱表征[EMIM]Br-AlCl3离子液体的结构;测试离子液体的密度、电导率等性质。结果表明:常规回流法以N-甲基咪唑和溴乙烷为原料,在70℃温度下反应5h,反应产率为87.9%;微波法反应时间1000s,产率为94.2%;40℃下密度为1.46g.cm-3,电导率为21S.m-1;用DFT B3LYP量子化学计算方法研究离子液体的构型,离子液体的合成反应遵循SN2反应机理;紫外光谱和红外光谱表征了[EMIM]Br和AlCl3/[EMIM]Br离子液体的结构。
The yield of [EMIM] Br intermediate was studied by using N-methylimidazole, bromoethane and AlCl3 as well as microwave reflux method. The structure of ionic liquid was calculated by quantum chemistry method, and the mechanism of synthesis reaction was clarified. Characterization of [EMIM] Br-AlCl3 Ionic Liquids by Spectroscopic and Infrared Spectroscopy; Testing of Ionic Liquids for Density, Conductivity and Other Properties. The results showed that N-methylimidazole and ethyl bromide were used as raw materials in the conventional refluxing method, the reaction was carried out at 70 ℃ for 5h, the yield was 87.9%, the reaction time was 1000s, the yield was 94.2% Ionic conductivity was 1.46g.cm-3, the conductivity was 21S.m-1; DFT B3LYP quantum chemical calculation of the ionic liquid configuration, the ionic liquid synthesis reaction follows the SN2 reaction mechanism; UV spectroscopy and infrared spectroscopy [EMIM ] Br and AlCl3 / [EMIM] Br ionic liquids.