Hydrogen-bond rich ionic liquids with hydroxyl cationic tails

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	Hydrogen-bond rich ionic liquids with hydroxyl cationic tails
	Ou-Yang, ZC; Wang, YT
刊名	CHEMICAL PHYSICS LETTERS
	2013
卷号	560 期号:-页码:32-36
关键词	MOLECULAR-DYNAMICS SIMULATION ALKYL CHAIN-LENGTH NANOSTRUCTURAL ORGANIZATION SPATIAL HETEROGENEITY LIQUID/WATER MIXTURES COMPUTER-SIMULATIONS WATER TRIS(PENTAFLUOROETHYL)TRIFLUOROPHOSPHATE AGGREGATION ABSORPTION
ISSN号	0009-2614
通讯作者	Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, 55 E Zhongguancun Rd,POB 2735, Beijing 100190, Peoples R China.
英文摘要	To investigate if the amphiphilic feature exhibited in ionic liquids (ILs) with nonpolar cationic tails still exists in ILs with polar tails, by performing molecular dynamics simulations for 1-(8-hydroxyoctyl)-3-methyl- imidazolium nitrate (C-OH) and 1-octyl-3-methyl-imidazolium nitrate (C-8), we found that, in C-OH, cationic tail groups can no longer aggregate to form separated nonpolar tail domains, instead hydroxyl groups form a rich number of hydrogen bonds with other groups, indicating that the hydroxyl substituent changes the IL system from an amphiphilic liquid to a polar liquid. Due to the large amount of hydrogen bonds, C-OH has slower dynamics than C-8. (c) 2013 Elsevier B.V. All rights reserved.
学科主题	Physics
收录类别	SCI
资助信息	National Natural Science Foundation of China [11274319, 10974208, 11121403]; Hundred Talent Program of the Chinese Academy of Sciences (CAS)
原文出处	http://dx.doi.org/10.1016/j.cplett.2013.01.022
语种	英语
WOS记录号	WOS:000315160500006
公开日期	2014-04-25
内容类型	期刊论文
源URL	[http://ir.itp.ac.cn/handle/311006/15413]
专题	理论物理研究所_理论物理所1978-2010年知识产出
推荐引用方式 GB/T 7714	Ou-Yang, ZC,Wang, YT. Hydrogen-bond rich ionic liquids with hydroxyl cationic tails[J]. CHEMICAL PHYSICS LETTERS,2013,560(-):32-36.
APA	Ou-Yang, ZC,&Wang, YT.(2013).Hydrogen-bond rich ionic liquids with hydroxyl cationic tails.CHEMICAL PHYSICS LETTERS,560(-),32-36.
MLA	Ou-Yang, ZC,et al."Hydrogen-bond rich ionic liquids with hydroxyl cationic tails".CHEMICAL PHYSICS LETTERS 560.-(2013):32-36.