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Insight into the activity of efficient acid-base bifunctional catalysts for the coupling reaction of CO2
Wang, L; Jin, XF; Li, Y; Li, P; Zhang, JL; He, HY; Zhang, SJ
2015
发表期刊MOLECULAR PHYSICS
ISSN0026-8976
卷号113期号:22页码:3524
摘要

The fixation of carbon dioxide with epoxide catalysed by a series of carboxylic acidic functionalised ionic liquids (ILs) catalysts is investigated by density functional theory method. Except for the catalysts reported by the experiment, the catalytic activity of a new designed catalyst (4c see Scheme 1) is also explored. These ILs are categorised into four groups according to the different cation structures and number of functional groups. The effects of different chain length, anion, and cation structure on the catalytic activity are explored. The elongation of alkyl chain length in cation will increase the product yield, while increasing the chain bulk has almost negligible effect on the enhancement of catalytic activity. Utilisation of imidazole group as the cation is better than pyridine group. And the cation with two functional groups will have a better catalytic activity than that with one functional group.

关键词Alkyl Chain Length Polarizable Continuum Model Ionic Liquid Functionalized Ionic Liquid Acid-base Bifunctional Catalyst Carbon-dioxide Co2 Cyclic Carbonates Organic Carbonates Chemical Fixation Epoxides Cycloaddition Solvent Nanoparticles
文章类型Article
DOI10.1080/00268976.2015.1037804
URL查看原文
收录类别SCI
语种英语
WOS记录号WOS:000364828200017
引用统计
被引频次:4[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.ipe.ac.cn/handle/122111/20661
专题研究所(批量导入)
通讯作者Zhang, JL
推荐引用方式
GB/T 7714
Wang, L,Jin, XF,Li, Y,et al. Insight into the activity of efficient acid-base bifunctional catalysts for the coupling reaction of CO2[J]. MOLECULAR PHYSICS,2015,113(22):3524.
APA Wang, L.,Jin, XF.,Li, Y.,Li, P.,Zhang, JL.,...&Zhang, SJ.(2015).Insight into the activity of efficient acid-base bifunctional catalysts for the coupling reaction of CO2.MOLECULAR PHYSICS,113(22),3524.
MLA Wang, L,et al."Insight into the activity of efficient acid-base bifunctional catalysts for the coupling reaction of CO2".MOLECULAR PHYSICS 113.22(2015):3524.
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