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Tracking the Micro-Heterogeneity and Hydrogen-bonding Interactions in Hydroxyl-Functionalized Ionic Liquid Solutions: A Combined Experimental and Computational Study

文献类型：期刊论文

作者Zhang, Yaqin1,4; Tan, Xin4; Ding, Weilu4; Wang, Yanlei4; He, Hongyan2,4; Yu, Zhiwu3
刊名CHEMPHYSCHEM
出版日期2021-08-04
页码10
ISSN号1439-4235
关键词ionic liquid non-ideality excess infrared heterogeneity hydrogen bonding
DOI10.1002/cphc.202100395
英文摘要Ionic liquids (ILs) are an important class of media that are usually used in combination with polar solvents to reduce costs and tune their physicochemical properties. In this regard, it is essential to understand the influence of adding solvents on the properties of ILs. In this work, the micro-heterogeneity and H-bonding interactions between a hydroxyl-functionalized IL, [HOEmim][TFSI], and acetonitrile (ACN) were investigated by attenuated total reflection Fourier transform infrared spectroscopy and molecular simulations. All studied IL-ACN mixtures were found to deviate from the ideal mixtures. The degree of deviations reaches the maximum at about x(ACN)=0.7 with the presence of both homogeneous clusters of pure IL/ACN and heterogeneous clusters of IL-ACN. With the addition of ACN to IL, the mixtures undergo the transformation from "ACN solvated in [HOEmim][TFSI]" to "[HOEmim][TFSI] solvated in ACN". It is found that the newly formed H-bonding interactions between the IL and ACN is the main factor that contributes to the red shifts of O-H, C-2-H, C-4,C-5-H, and C-alkyl-H of [HOEmim](+) cation, and the blue shifts of C-D, C equivalent to N of ACN, and C-F, S=O of [TFSI](-) anion. These in-depth studies on the mixtures of hydroxyl-functionalized IL and acetonitrile would help to understand the micro-heterogeneity and H-bonding interactions of miscible solutions and shed light on exploring their applications.
WOS关键词BINARY-MIXTURES ; ACETONITRILE ; FIXATION ; STRENGTH ; CLUSTERS ; SYSTEMS ; LIGNIN ; WATER
资助项目National Science Fund for Excellent Young Scholars[21922813] ; National Natural Science Foundation of China[21733011] ; National Natural Science Foundation of China[21834006] ; National Natural Science Foundation of China[21890762] ; Innovation Academy for Green Manufacture, Chinese Academy of Sciences[IAGM2020C16] ; Youth Innovation Promotion Association of CAS[2017066]
WOS研究方向Chemistry ; Physics
语种英语
出版者WILEY-V C H VERLAG GMBH
WOS记录号WOS:000680923600001
资助机构National Science Fund for Excellent Young Scholars ; National Natural Science Foundation of China ; Innovation Academy for Green Manufacture, Chinese Academy of Sciences ; Youth Innovation Promotion Association of CAS
源URL[http://ir.ipe.ac.cn/handle/122111/49532]  
专题中国科学院过程工程研究所
通讯作者He, Hongyan; Yu, Zhiwu
作者单位1.City Univ Hong Kong, Dept Mat Sci & Engn, Hong Kong, Peoples R China
2.Chinese Acad Sci, Innovat Acad Green Manufacture, Beijing 100190, Peoples R China
3.Tsinghua Univ, Dept Chem, MOE Key Lab Bioorgan Phosphorous Chem & Chem Biol, Beijing 100084, Peoples R China
4.Chinese Acad Sci, Inst Proc Engn, State Key Lab Multiphase Complex Syst, Key Lab Green Proc & Engn,Beijing Key Lab Ion Liq, Beijing 100190, Peoples R China
推荐引用方式
GB/T 7714		 Zhang, Yaqin,Tan, Xin,Ding, Weilu,et al. Tracking the Micro-Heterogeneity and Hydrogen-bonding Interactions in Hydroxyl-Functionalized Ionic Liquid Solutions: A Combined Experimental and Computational Study[J]. CHEMPHYSCHEM,2021:10.
APA Zhang, Yaqin,Tan, Xin,Ding, Weilu,Wang, Yanlei,He, Hongyan,&Yu, Zhiwu.(2021).Tracking the Micro-Heterogeneity and Hydrogen-bonding Interactions in Hydroxyl-Functionalized Ionic Liquid Solutions: A Combined Experimental and Computational Study.CHEMPHYSCHEM,10.
MLA Zhang, Yaqin,et al."Tracking the Micro-Heterogeneity and Hydrogen-bonding Interactions in Hydroxyl-Functionalized Ionic Liquid Solutions: A Combined Experimental and Computational Study".CHEMPHYSCHEM (2021):10.

入库方式： OAI收割

来源：过程工程研究所

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