Hydrogen-bonding interactions between BMIM BF4 and dimethyl sulfoxide
文献类型：期刊论文
| 作者 | Zheng, Y. Z. ; He, H. Y. ; Zhou, Y. ; Yu, Z. W. |
| 刊名 | Journal of Molecular Structure
 |
| 出版日期 | 2014 |
| 卷号 | 1069期号:1页码:140-146 |
| 关键词 | ATR-FTIR Excess infrared spectra Ion cluster Ion pair Hydrogen-bond Ionic liquid SELECTIVE MOLECULAR-INTERACTIONS IONIC LIQUIDS STRETCHING VIBRATIONS BINARY-MIXTURES CELLULOSE SPECTROSCOPY TEMPERATURE SYSTEMS RAMAN HEXAFLUOROPHOSPHATE |
| 其他题名 | J. Mol. Struct. |
| 中文摘要 | Mixtures of Ionic liquids and small polar organic solvent are potential green solvents for cellulose dissolution under mild conditions. In this work, the interactions between a representative imidazolium-based ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM][BF4]) and dimethyl sulfoxide (DMSO) were investigated in detail by attenuated total reflection infrared spectroscopy (ATR-IR) and density functional theory calculations (DFT). The main conclusions are: (1) C2-H is the main interaction site in forming cation-anion, cation-DMSO, and [BMIM][BF4]-DMSO complexes. (2) The two turning points of the wavenumber shift changes of C2-H may indicate that the dilution process can be divided into several stages: from larger ion clusters to smaller ion clusters, then to ion pairs, and finally to individual ions. The solvent molecules cannot break apart the strong Coulombic interaction between [BMIM](+) and [BF4](-) but can break apart the ion clusters into ion pairs when the mole fraction of DMSO is less than 0.9. When the mole fraction of DMSO is greater than 0.9, ion pairs can be broke into ions. (3) The hydrogen-bonds of the aromatic C-Hs in [BMIM](+). are strengthened in the dilution process while those of the alkyl C-Hs of [BMIM](+) are weakened. (4) The aromatic C-Hs of the [BMIM](+) cation strength before the weakening of the alkyl C-Hs. These in-depth studies on the properties of the ionic liquid-DMSO mixed solvents may shed light on exploring their applications as mixed solvents in cellulose dissolution and other practices. (C) 2014 Elsevier B.V. All rights reserved. |
| 收录类别 | SCI |
| 原文出处 | |
| 语种 | 英语 |
| 公开日期 | 2014-08-28 |
| 版本 | 出版稿 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/11056]  |
| 专题 | 过程工程研究所_研究所（批量导入） |
| 推荐引用方式 GB/T 7714 | Zheng, Y. Z.,He, H. Y.,Zhou, Y.,et al. Hydrogen-bonding interactions between BMIM BF4 and dimethyl sulfoxide[J]. Journal of Molecular Structure,2014,1069(1):140-146. |
| APA | Zheng, Y. Z.,He, H. Y.,Zhou, Y.,&Yu, Z. W..(2014).Hydrogen-bonding interactions between BMIM BF4 and dimethyl sulfoxide.Journal of Molecular Structure,1069(1),140-146. |
| MLA | Zheng, Y. Z.,et al."Hydrogen-bonding interactions between BMIM BF4 and dimethyl sulfoxide".Journal of Molecular Structure 1069.1(2014):140-146. |
入库方式： OAI收割
来源：过程工程研究所
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