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Hydrogen-bonding interactions between a pyridinium-based ionic liquid [C4Py][SCN] and dimethyl sulfoxide
He, HY; Chen, H; Zheng, YZ; Zhang, SJ; Yu, ZW
2015
发表期刊CHEMICAL ENGINEERING SCIENCE
ISSN0009-2509
卷号121期号:JAN页码:169
摘要

In this work, the interactions between a representative pyridinium-based ionic liquid (IL) with cyano-functionalized anion ([C4Py][SCN]) and dimethyl sulfoxide (DMSO) were investigated in detail using attenuated total reflection infrared spectroscopy (ATR-FTIR), hydrogen nuclear magnetic resonance (H-1 NMR), and density functional theory (DFT) calculations. It was found that H-bonds are universally involved and play important role for the miscibility of DMSO with [C4Py][SCN] IL and maintain the stability of this system. ATR-FTIR and excess spectroscopy analysis indicated that the H-bonds involving the alkyl C-Hs and C N are strengthened with the addition of DMSO, while the H-bonds involving pyridinium ring C-Hs as well as the H-bonds formed between the [C4Py](+) and [SCN](-) are weakened. The addition of [C4Py][SCN] IL led to the H-bonds involving the C-Hs in DMSO weakened comparing with the associated H-bonds in the pure DMSO system. The results of DFT calculations indicated that the DMSO molecules cannot disrupt the strong Coulombic interaction between the [C4Py](+) and [SCN](-). Natural bond orbital (NBO) analysis further confirmed that the interaction mechanisms of DMSO molecule with the anion and cation are different in nature. These studies will shed light on exploring the applications of ILs as reaction or separation media. (C) 2014 Elsevier Ltd. All rights reserved,

关键词Quantum Chemical Calculation Hybrid Density Functionals Atr-ftir High-pressure Ionic Liquids Water Hydrogen Bond Imidazolium Excess Infrared Spectroscopy Tetrafluoroborate Spectroscopy Methanol Trifluoroacetate Solvation Cellulose
文章类型Article
学科领域Engineering, Chemical ; Engineering
DOI10.1016/j.ces.2014.07.024
URL查看原文
收录类别SCI
语种英语
WOS记录号WOS:000344943900016
引用统计
文献类型期刊论文
条目标识符http://ir.ipe.ac.cn/handle/122111/20664
专题研究所(批量导入)
通讯作者Zhang, SJ
推荐引用方式
GB/T 7714
He, HY,Chen, H,Zheng, YZ,et al. Hydrogen-bonding interactions between a pyridinium-based ionic liquid [C4Py][SCN] and dimethyl sulfoxide[J]. CHEMICAL ENGINEERING SCIENCE,2015,121(JAN):169.
APA He, HY,Chen, H,Zheng, YZ,Zhang, SJ,&Yu, ZW.(2015).Hydrogen-bonding interactions between a pyridinium-based ionic liquid [C4Py][SCN] and dimethyl sulfoxide.CHEMICAL ENGINEERING SCIENCE,121(JAN),169.
MLA He, HY,et al."Hydrogen-bonding interactions between a pyridinium-based ionic liquid [C4Py][SCN] and dimethyl sulfoxide".CHEMICAL ENGINEERING SCIENCE 121.JAN(2015):169.
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