水溶液中溶剂层的微观结构拉曼光谱研究
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- 英文论文题名：Micro-structure of hydration shell of aqueous solutions by Raman Spectroscopy
- 论文作者：林珂 ; 王钰熙 ; 朱卫多 ; 袁岚峰 ; 周晓国 ; 刘世林 ; 罗毅
- 英文论文作者：Ke Lin ; Yu-Xi Wang ; Wei-Duo Zhu ; Lan-Feng Yuan ; Xiao-Guo Zhou ; Shi-Lin Liu ; Yi Luo ; School of Physics and Optoelectronic Engineering ; Xidian University ; Department of Chemical Physics ; University of Science and Technology of China
- 年：2016
- 作者机构：西安电子科技大学物理与光电工程学院;中国科学技术大学化学物理系合肥微尺度物质科学国家实验室;
- 论文关键词：水溶液 ; 溶剂层 ; 微观结构 ; 拉曼除谱
- 会议召开时间：2016-07-01
- 会议录名称：中国化学会第30届学术年会摘要集-第四十四分会：化学动力学
- 语种：中文
- 分类号：O645.11
- 学会代码：ZGHY
- 会议名称：中国化学会第30届学术年会-第四十四分会 ; 化学动力学
- 会议地点：中国辽宁大连
- 主办单位：中国化学会
- 学会名称：中国化学会
- 页数：1
- 文件大小：159k
- 原文格式：D
- 会议级别：全国
摘要
水溶液无处不在,它在生命过程中扮演极其重要的作用。水溶液的性质决定于其微观结构,而微观结构中最重要的一种既是溶剂层微观结构,但是溶剂层的光谱极难获取。这里我们提出了拉曼除谱新方法,用于提取各种有机物和无机物水溶液的溶剂层光谱。利用这个溶剂层光谱可以分析溶剂层的微观结构,分析溶质与水的相互作用,分析第一水合层的水分子数目,分析溶液中溶质-溶质相互作用等。通过这个拉曼除谱方法获取的第一水合层水分子数目也被我们的分子动力学模拟结果所支持。通过分析无机盐水溶液中这些溶剂层水分子数目,我们给出了极稀溶液下强电介质水溶液中依旧存在离子对的直接证据。通过分析有机物水溶液中这些溶剂层的水分子数目及其光谱,我们提出了疏水相互作用和亲水相互作用的协同效应。我们的研究不仅揭示了这些水溶液中溶剂层的微观结构,还表明拉曼除谱方法是一个研究水溶液微观结构的有效工具。
The micro-structure of hydration shell of solute in water is significant for understanding the properties of aqueous solutions. However the spectra of hydration shell is difficult to be obtained. Herein, a novel Raman ratio spectra, which is obtained through dividing the Raman spectra of aqueous solutions from the spectrum of water, was applied to deduce the spectra of hydration shell of aqueous solutions. The hydration spectra is used to discuss the micro-structure of hydration shell, the number of water molecules in first hydration shell, the aggregation of solutes in water. The hydration number from the Raman ratio spectra is supported by our molecular dynamic simulations. The aggregation of ions in diluted solutions were also evidenced by the hydration number. We also found the evidence of the cooperative effect of hydrophobic and hydrophilic interactions.
The micro-structure of hydration shell of solute in water is significant for understanding the properties of aqueous solutions. However the spectra of hydration shell is difficult to be obtained. Herein, a novel Raman ratio spectra, which is obtained through dividing the Raman spectra of aqueous solutions from the spectrum of water, was applied to deduce the spectra of hydration shell of aqueous solutions. The hydration spectra is used to discuss the micro-structure of hydration shell, the number of water molecules in first hydration shell, the aggregation of solutes in water. The hydration number from the Raman ratio spectra is supported by our molecular dynamic simulations. The aggregation of ions in diluted solutions were also evidenced by the hydration number. We also found the evidence of the cooperative effect of hydrophobic and hydrophilic interactions.
引文
[1]Wang,Y.-X.;Zhu,W.-D.;Lin,K.;*Yuan,L.-F.;Zhou,X.-G.;et al.J.Raman.Spectroscopy,2016,Accepted.
[2]Tang,C.;Lin,K.*;Zhou,X.-G.;Liu,S.-L.*Chinese Journal of Chemical Physics,2016,29:15240
[2]Tang,C.;Lin,K.*;Zhou,X.-G.;Liu,S.-L.*Chinese Journal of Chemical Physics,2016,29:15240