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Mechanism of fixation of CO2 in the presence of hydroxyl-functionalized quaternary ammonium salts
Wang, Li1; Li, Ping1; Jin, Xiangfeng1; Zhang, Jinglai1; He, Hongyan2; Zhang, Suojiang2
2015-06-01
Source PublicationJOURNAL OF CO2 UTILIZATION
ISSN2212-9820
Volume10Issue:JUNPages:113-119
Abstract

Utilization of CO2 (carbon dioxide) to synthesize useful organic compounds has attracted much attentions from the academia and industry. Recently, the fixation of CO2 catalyzed by using four hydroxyl-functionalized ionic liquids (ILs) has been successfully achieved. However, the detailed mechanism is still ambiguous. We performed a theoretical study on the mechanism of the fixation of CO2 catalyzed by 2-hydroxyl-ethyl-triethylammonium bromide (HETEAB) using the DFT method. The structural and energetic information for each possible route were obtained. Furthermore, the similarities and differences of two different catalysts, HETEAB and 2-hydroxyl-ethyl-tributylammonium bromide (HETBAB), were discussed in detail. In addition, the result shows that the OH functional group is one essential factor to improve the catalyst ability. Except that, including active H atom in the IL is the other major factor to refine the catalytic performance. (C) 2015 Elsevier Ltd. All rights reserved.

KeywordMechanism Hydroxyl-functionalized Ionic Liquid Catalysis Co2
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences ; Technology
DOI10.1016/j.jcou.2015.02.006
Indexed BySCI
Language英语
WOS KeywordCARBON-DIOXIDE ; PROPYLENE-OXIDE ; IONIC LIQUIDS ; COUPLING REACTIONS ; CYCLIC CARBONATE ; MILD CONDITIONS ; BASE CATALYSTS ; EPOXIDES ; CYCLOADDITION ; ETHER
WOS Research AreaChemistry ; Engineering
WOS SubjectChemistry, Multidisciplinary ; Engineering, Chemical
WOS IDWOS:000356113100014
Citation statistics
Cited Times:18[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/19280
Collection多相复杂系统国家重点实验室
Affiliation1.Henan Univ, Coll Chem & Chem Engn, Inst Environm & Analyt Sci, Kaifeng 475004, Henan, Peoples R China
2.Chinese Acad Sci, Inst Proc Engn, State Key Lab Multiphase Complex Syst, Beijing Key Lab Ion Liquids Clean Proc, Beijing 100190, Peoples R China
Recommended Citation
GB/T 7714
Wang, Li,Li, Ping,Jin, Xiangfeng,et al. Mechanism of fixation of CO2 in the presence of hydroxyl-functionalized quaternary ammonium salts[J]. JOURNAL OF CO2 UTILIZATION,2015,10(JUN):113-119.
APA Wang, Li,Li, Ping,Jin, Xiangfeng,Zhang, Jinglai,He, Hongyan,&Zhang, Suojiang.(2015).Mechanism of fixation of CO2 in the presence of hydroxyl-functionalized quaternary ammonium salts.JOURNAL OF CO2 UTILIZATION,10(JUN),113-119.
MLA Wang, Li,et al."Mechanism of fixation of CO2 in the presence of hydroxyl-functionalized quaternary ammonium salts".JOURNAL OF CO2 UTILIZATION 10.JUN(2015):113-119.
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