Experimental Studies of the Dynamic Structure of Liquids

Jiri Jonas教授得到了理论和计算化学计划的资助，该计划利用核磁共振光谱以及瑞利和拉曼散射来研究液体的动态结构。这项研究的主要意义在于加深我们对压力、温度和溶剂性质对化学结构和反应活性的影响的了解。乔纳斯计划使用核磁共振光谱以及激光瑞利和拉曼散射技术来研究各种液体体系中的分子运动、分子间相互作用和反应速率。还将测量自扩散系数、剪切粘度和密度等特性。使用压力作为实验变量代表了将要进行的实验的重要特征，因为这种方法使Jonas能够分离密度和温度对液体中动态过程的影响。重点将放在利用高压下高分辨多核傅立叶变换核磁共振技术来研究：1)动态溶剂对反应速率的影响；2)复杂液体的动力学；3)流体动力学方程在分子水平上的适用性；以及4)氢键液体的化学位移研究。激光拉曼散射的研究将集中在：1)在二元液体混合物中的碰撞诱导散射；以及2)在极性液体中的频率非符合效应。

Professor Jiri Jonas is supported by a grant from the Theoretical and Computational Chemistry Program to study the dynamic structure of liquids using NMR spectroscopy and Rayleigh and Raman scattering. The primary importance of this research is in furthering our understanding of the effects which pressure, temperature and nature of the solvent have on chemical structure and reactivity. Jonas plans to use NMR spectroscopy and laser Rayleigh and Raman scattering techniques to study molecular motions, intermolecular interactions and reaction rates in various liquid systems. Properties such as self-diffusion coefficients, shear viscosities and densities will also be measured. The use of pressure as an experimental variable represents the important feature of the experiments to be conducted because this approach enables Jonas to separate the effects of density and temperature on dynamic processes in liquids. The main emphasis will be on the use of high resolution multinuclear FT NMR techniques at high pressures to study: 1) dynamical solvent effects on reaction rates; 2) dynamics of complex liquids; 3) applicability of hydrodynamic equations at the molecular level; and 4) chemical shift studies of hydrogen bonded liquids. Laser Raman scattering studies will concentrate on: 1) collision induced scattering in binary liquid mixtures; and 2) frequency non-coincidence effects in polar liquids.