水及水溶液微观结构的拉曼光谱研究

项目名称： 水及水溶液微观结构的拉曼光谱研究

项目编号： No.21273211

项目类型： 面上项目

立项/批准年度： 2013

项目学科： 数理科学和化学

项目作者： 刘世林

作者单位： 中国科学技术大学

项目金额： 82万元

中文摘要： 本项目拟以拉曼振动光谱为手段，研究水、醇/水溶液以及盐/水溶液的微观结构。对于水，记录不同温度下水及水/重水混合液的偏振拉曼光谱，通过对比光谱随温度的变化研究水的微观结构，主要关注水的平均氢键数、氢键的排列方式、氢键网络大小等；对于醇/水混合溶液，通过偏振光谱分析水中醇类分子的非一致效应（NCE），回答醇/水溶液的微观非均匀混合情况，再通过分析O-H伸缩振动谱峰形状随浓度的变化，研究醇分子疏水基团和结构对水结构的影响；对于盐/水溶液，通过分析溶液中盐和水特征振动谱峰的超额拉曼光谱，研究正、负离子对水结构的影响以及离子与水的缔合情况。尽管这些问题受到广泛关注和大量研究，但我们的近期工作表明，利用以偏振拉曼光谱为基础衍生出的一些测量方法仍可获得诸多新的实验结果，可望在分子层次上深入了解水及水溶液的微观结构，以及溶液中分子间的各种相互作用。

中文关键词： 水；水溶液；拉曼光谱；微观结构；光谱标识

英文摘要： In this project, we want employ polarized Raman spectroscopy and excess Raman spectroscopy to study the micro-strcutre of water, the mixtures of water with organic compounds, salts. At first, we apply polarized Raman spectroscopy to study the structure of water, we will record the polarized spectra of water and its heave water solutions at different temperatures, according to the difference of these spectra we may answer the micro-structure of water, and we focus on the average number of hydrogen bond per water molecule, the pattern of hydrogen bonding, the size of hydrogen bonding network. Second, we use polarized Raman spectroscopy and excess Raman spectroscopy to study the structure of aqueous organic compounds, in this part, we will record the fingerprint Raman peak of these organic compounds, and analysis the non-coincidence effect, then we can answer the heterogeneity of these mixtures, and also we will record the Raman band of water to know how water structure is influenced by hydrophobic and hydrophilic groups in aqueous organic compounds, in this part we will systematically study how the structure of water and organic compouds were influenced with each other. Third, we employ excess Raman spectra to study the micro-structure of aqueous salts, we will record the characteristic Raman bands of salts and wa

英文关键词： water；water solution；Raman Spectrum；microscopic structure；spectroscopic assignment