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Deng, L; Shi, R; Wang, YT; Ou-Yang, ZC; 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.
Hydrogen-bond rich ionic liquids with hydroxyl cationic tails
Source PublicationCHEMICAL PHYSICS LETTERS
Language英语
KeywordMolecular-dynamics Simulation Alkyl Chain-length Nanostructural Organization Spatial Heterogeneity Liquid/water Mixtures Computer-simulations Water Tris(Pentafluoroethyl)Trifluorophosphate Aggregation Absorption
AbstractTo 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.
2013
ISSN0009-2614
Volume560Issue:-Pages:32-36
Subject AreaPhysics
Indexed BySCI
Funding OrganizationNational Natural Science Foundation of China [11274319, 10974208, 11121403]; Hundred Talent Program of the Chinese Academy of Sciences (CAS) ; National Natural Science Foundation of China [11274319, 10974208, 11121403]; Hundred Talent Program of the Chinese Academy of Sciences (CAS) ; National Natural Science Foundation of China [11274319, 10974208, 11121403]; Hundred Talent Program of the Chinese Academy of Sciences (CAS) ; National Natural Science Foundation of China [11274319, 10974208, 11121403]; Hundred Talent Program of the Chinese Academy of Sciences (CAS)
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Document Type期刊论文
Identifierhttp://ir.itp.ac.cn/handle/311006/15413
Collection理论物理所科研产出_SCI论文
Corresponding AuthorWang, 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.
Recommended Citation
GB/T 7714
Deng, L,Shi, R,Wang, YT,et al. Hydrogen-bond rich ionic liquids with hydroxyl cationic tails[J]. CHEMICAL PHYSICS LETTERS,2013,560(-):32-36.
APA Deng, L,Shi, R,Wang, YT,Ou-Yang, ZC,&Wang, YT .(2013).Hydrogen-bond rich ionic liquids with hydroxyl cationic tails.CHEMICAL PHYSICS LETTERS,560(-),32-36.
MLA Deng, L,et al."Hydrogen-bond rich ionic liquids with hydroxyl cationic tails".CHEMICAL PHYSICS LETTERS 560.-(2013):32-36.
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