Spectroscopy and Relaxation in Liquids and Glasses

詹姆斯·斯金纳得到了理论和 计算化学计划，继续他的理论工作， 液体和玻璃中的光谱和弛豫。 建议进行研究 在三个主要领域：1）单个分子的光谱扩散， 玻璃; 2）液体中的超快溶剂化动力学;以及3）振动 液体中的松弛 形式理论和模拟的结合 用于解释从各种光谱中获得的动力学信息 从玻璃和玻璃中的荧光探针获得的测量结果 溶液 无定形固体或玻璃具有许多重要的技术 应用. 稀氟化合物的光谱学具有 被用来探测玻璃的动态，并获得更好的 了解这些系统的热性能。 动力学 液体溶剂的性质在许多化学和 生物速率过程 溶剂动力学也可以探测 使用荧光化合物的稀溶液进行光谱分析。 最后，振动弛豫密切涉及液态 化学反应动力学 为了预测反应速率， 因此必须了解振动弛豫率。 斯金纳会 也在研究稀溶液中的振动弛豫过程。

James Skinner is supported by a grant from the Theoretical and Computational Chemistry Program to continue his theoretical work on spectroscopy and relaxation in liquids and glasses. Studies are proposed in three major areas: 1) spectral diffusion of individual molecules in glasses; 2) ultrafast solvation dynamics in liquids; and 3) vibrational relaxation in liquids. A combination of formal theory and simulations is used to interpret dynamical information obtained from various spectral measurements obtained from fluorescence probes in glasses and in solution. Amorphous solids or glasses have many important technological applications. Optical spectroscopy of dilute flourescent compounds has been used to probe the dynamics of glasses, and to obtain a better understanding of the thermal properties for such systems. The dynamics of liquid solvents plays an important role in many chemical and biological rate processes. Solvent dynamics can also be probed spectroscopically using dilute solutions of fluorescent compounds. Finally vibrational relaxation is intimately involved in liquid-state chemical reaction dynamics. In order to predict reaction rates, one therefore has to understand vibrational relaxation rates. Skinner will also be studying vibrational relaxation processes in dilute solutions.