Catalytic Activity of a Series of Synthesized and Newly Designed Pyridinium-Based Ionic Liquids on the Fixation of Carbon Dioxide: A DFT Investigation

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	Catalytic Activity of a Series of Synthesized and Newly Designed Pyridinium-Based Ionic Liquids on the Fixation of Carbon Dioxide: A DFT Investigation
	Li, Ya 1; Wang, Li 1; Huang, Tengfei 1; Zhang, Jinglai 1; He, Hongqing2
刊名	INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
	2015-08-26
卷号	54 期号:33 页码:8093-8099
英文摘要	Exploring a high-efficiency catalyst for the coupling reaction of carbon dioxide (CO2) with epoxide (PO) is still a challenging project. Ionic liquid (IL) is one of the most ideal catalysts since it could catalyze the coupling reaction in a benign environment in the absence of metal and organic solvent. The catalytic activity of a series of pyridinium-based ILs is theoretically investigated. The influences of the nature of cation, methylene chain length, and anion on the catalytic performance are explored. It has been proven that the catalytic activity of pyridinium-based IL is better than that of imidazolium-based and quaternary ammonium-based us. Since the properties of IL could be regulated by variation of cation and anion, four new ILs are designed by introduction of the -COOH, -OH, -SO3H, and -NH2 functional groups into the traditional pyridinium-based IL, respectively. Subsequently, the catalytic performance of four newly designed functionalized pyridinium-based ILs is compared with that of the traditional pyridinium-based IL. Only the carboxyl-functionalized pyridinium-based IL has better catalytic activity than the traditional pyridinium-based IL. It is expected that the theoretical investigation might provide helpful clues for further experiments.
WOS标题词	Science & Technology ; Technology
类目[WOS]	Engineering, Chemical
研究领域[WOS]	Engineering
关键词[WOS]	ALLYL GLYCIDYL ETHER ; ORGANIC CARBONATES ; CHEMICAL FIXATION ; CYCLIC CARBONATES ; CO2 ; CYCLOADDITION ; MECHANISM ; EPOXIDES ; SYSTEM ; SALTS
收录类别	SCI
语种	英语
WOS记录号	WOS:000360322400012
公开日期	2015-10-13
内容类型	期刊论文
源URL	[http://ir.wipm.ac.cn/handle/112942/7871]
专题	武汉物理与数学研究所_理论与交叉研究部
作者单位	1.Henan Univ, Inst Environm & Analyt Sci, Coll Chem & Chem Engn, Kaifeng 475004, Henan, Peoples R China 2.Chinese Acad Sci, Wuhan Inst Phys & Math, Wuhan Ctr Magnet Resonance, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Hubei, Peoples R China
推荐引用方式 GB/T 7714	Li, Ya,Wang, Li,Huang, Tengfei,et al. Catalytic Activity of a Series of Synthesized and Newly Designed Pyridinium-Based Ionic Liquids on the Fixation of Carbon Dioxide: A DFT Investigation[J]. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,2015,54(33):8093-8099.
APA	Li, Ya,Wang, Li,Huang, Tengfei,Zhang, Jinglai,&He, Hongqing.(2015).Catalytic Activity of a Series of Synthesized and Newly Designed Pyridinium-Based Ionic Liquids on the Fixation of Carbon Dioxide: A DFT Investigation.INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,54(33),8093-8099.
MLA	Li, Ya,et al."Catalytic Activity of a Series of Synthesized and Newly Designed Pyridinium-Based Ionic Liquids on the Fixation of Carbon Dioxide: A DFT Investigation".INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 54.33(2015):8093-8099.