高等学校化学学报 ›› 2018, Vol. 39 ›› Issue (4): 758-763.doi: 10.7503/cjcu20170445

• 物理化学 • 上一篇    下一篇

三元水溶液体系中氢键作用与分子结构的拉曼光谱研究

欧阳顺利1, 张明哲1, 张永朝2, 胡庆成1, 魏海燕1, 吴楠楠2(), 黄保坤3()   

  1. 1. 内蒙古科技大学内蒙古自治区白云鄂博矿多金属资源综合利用重点实验室, 包头 014010
    2. 内蒙古科技大学理学院, 包头 014010
    3.淮海工学院电子工程学院, 连云港 222000
  • 收稿日期:2017-07-10 出版日期:2018-04-10 发布日期:2018-03-27
  • 作者简介:联系人简介: 吴楠楠, 女, 博士, 副教授, 主要从事量子化学计算与拉曼光谱方面的研究. E-mail:woshinannan04@imust.cn;黄保坤, 男, 博士, 副教授, 主要从事拉曼光谱方面的研究. E-mail:bkhuang@dicp.ac.cn
  • 基金资助:
    国家自然科学基金(批准号: 11364027, 21363013, 11564031)、 内蒙古科技大学创新基金(批准号: 2014QNGG09, 2015QDL14)、 内蒙古自治区高等学校青年科技英才支持计划项目(批准号: NJYT-17-B10)和内蒙古科技大学仪器研发专项基金(批准号: 2015KYYQ06)资助

Raman Spectroscopic Investigation on the Effect of Hydrogen Bond on Molecular Structure in Ternary Aqueous Solution

OUYANG Shunli1, ZHANG Mingzhe1, ZHANG Yongzhao2, HU Qingcheng1, WEI Haiyan1, WU Nannan2,*(), HUANG Baokun3,*()   

  1. 1.Key Laboratory of Integrated Exploitation of Bayan Obo Multi-Metallic Resources,Inner Mongolia University of Science and Technology, Baotou 014010, China
    2.School of Science, Inner Mongolia University of Science and Technology, Baotou 014010, China
    3.Electronic Engineering School, Huaihai Institute of Technology, Lianyungang 222000, China
  • Received:2017-07-10 Online:2018-04-10 Published:2018-03-27
  • Contact: WU Nannan,HUANG Baokun E-mail:woshinannan04@imust.cn;bkhuang@dicp.ac.cn
  • Supported by:
    † Supported by the National Natural Science Foundation of China(Nos.1136027, 21363013, 11564031), the Innovation Foundation of Inner Mongolia University of Science and Technology, China(Nos.2014QNGG09, 2015QDLQ14), the Program for Young Talents of Science and Technology in Universities of Inner Mongolia Autonomous Region, China(No.NJYT-17-B10) and the Special Foundation of Instrument Research and Development in Inner Mongolia University of Science and Technology, China(No.2015KYYQ06)

摘要:

采用拉曼光谱研究了水-乙腈-二甲基亚砜三元水溶液体系中氢键作用对分子结构的影响. 结果表明, 在三元水溶液中乙腈 C≡≡N 键的电子云向碳原子发生偏移, 二甲基亚砜中S=O双键的电子云向硫原子发生偏移; 在三元体系中乙腈和二甲基亚砜与水形成氢键时存在明显的竞争关系, 出现乙腈分子和二甲基亚砜分子共用1个水分子形成复合物的情况, 并且随着水含量的增加, 共用水分子的情况逐渐消失.

关键词: 水-乙腈-二甲基亚砜三元体系, 水溶液, 氢键, 拉曼光谱

Abstract:

The effect of hydrogen bond on the molecular structure in water-acetonitrile-dimethyl sulfoxide ternary system was investigated by Raman spectroscopy. The molecular interactions in water-acetonitrile-dimethyl sulfoxide ternary system, with different molar ratios were investigated by Raman spectroscopy. The results show that the electron cloud of the C≡≡N bond get closer to carbon atom, while the electron cloud of the S=O bond get closer to sulfur atom in ternary mixture. In addition, there exists an obviously competitive relationship between acetonitrile and DMSO when they form hydrogen bond with water in this ternary system, and there exists the situation in which acetonitrile molecule and DMSO molecule share one water molecule to form the compounds. With increasing the proportion of water, this situation gradually disappears. The research provides experimental basis for enriching the hydrogen bonding theory in ternary aqueous solution system.

Key words: Water-acetonitrile-dimethyl sulfoxide ternary system, Aqueous solution, Hydrogen bond, Raman spectroscopy

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