Efficient responsive ionic liquids with multiple active centers for the transformation of CO2 under mild conditions: Integrated experimental and theoretical study

被引：22

作者：

Wang, Tengfei ^{[1
,2
,3
]}

Zheng, Danning ^{[1
,2
,3
]}

Hu, Yuhang ^{[1
,2
,3
]}

Zhou, Jingsheng ^{[1
,2
,3
]}

Liu, Yi ^{[1
,2
,3
]}

Zhang, Jinglai ^{[1
,2
,3
]}

Wang, Li ^{[1
,2
,3
]}

机构：

[1] Henan Univ, Henan Engn Res Ctr Green Anticorros Technol Magne, Kaifeng 475004, Henan, Peoples R China

[2] Henan Univ, Henan Engn Res Ctr Corros & Protect Magnesium All, Kaifeng 475004, Henan, Peoples R China

[3] Henan Univ, Coll Chem & Chem Engn, Kaifeng 475004, Henan, Peoples R China

来源：

JOURNAL OF CO2 UTILIZATION | 2021年 / 49卷

基金：

中国国家自然科学基金;

关键词：

Multiple active centers; Ionic liquid; CO2; adsorption; DFT calculations; Atmospheric pressure; CYCLIC CARBONATES; CHEMICAL FIXATION; CONVERSION; CATALYST; SUBSTITUTION; METAL; ELF;

D O I：

10.1016/j.jcou.2021.101573

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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 chloropmpylene carbonate (CPC) is achieved at 50 degrees 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 C-13 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).

引用

页数：8

共 47 条

[1] Catalysis for the Valorization of Exhaust Carbon: from CO2 to Chemicals, Materials, and Fuels. Technological Use of CO2 [J].