The structure and hydrogen-bond properties of N-alkyl-N-methyl-pyrrolidinium bis(trifluoromethylsulfonyl)imide and DMSO mixtures

文献类型： 外文期刊

第一作者： Zheng, Yan-Zhen

作者： Zheng, Yan-Zhen;Wu, Li-Ming;Chen, Hong;Zhou, Yu;Geng, Deng;He, Hong-Yan;Wu, Li-Ming

作者机构：

期刊名称：PHYSICAL CHEMISTRY CHEMICAL PHYSICS （ 影响因子：3.676； 五年影响因子：3.802 ）

ISSN： 1463-9076

年卷期： 2020 年 22 卷 48 期

页码：

收录情况： SCI

摘要： Mixing ionic liquids (ILs) with molecular solvents can extend the practical applications of ILs and overcome the drawbacks of neat ILs. Knowledge on the structure and hydrogen-bond interaction properties of IL-molecular solvent mixtures is essential for chemical applications. In this work, the structure and hydrogen-bond features of N-alkyl-N-methyl-pyrrolidinium bis(trifluoromethylsulfonyl)imide ([CnMPyr][Tf2N], n = 3, 4, 6 and 8) and DMSO mixtures were studied using Fourier transform infrared spectroscopy (FTIR) and density functional theory (DFT) calculations. Excess infrared absorption spectroscopy and two-dimensional correlation spectroscopy (2D-COS) were employed to extract structural information on the mixtures from the C-D systematic stretching vibrational (nu(s)(C-D)) region of the methyl groups in DMSO-d(6). It was found that the mixing process of [CnMPyr][Tf2N] and DMSO is non-ideal and interaction complexes form between [CnMPyr][Tf2N] and DMSO-d(6). They are ion cluster-DMSO-d(6) complexes and ion pair-DMSO-d(6) complexes. In the mixing processes, the species present in pure DMSO gradually decrease from DMSO dimer to DMSO monomer with an increase in ILs. Besides, the ion cluster-DMSO complexes gradually increase, while the ion pair-DMSO complexes decrease due to the strong electrostatic interaction between the cation and anion. In the ion cluster-DMSO complexes and ion pair-DMSO complexes, the ring hydrogen atoms of the methylene group directly attached to the nitrogen atom are the preferred interaction sites of the [CnMPyr](+) cations. All the hydrogen bonds in the identified complexes are closed-shell, electrostatically dominant and weak.

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