Ultrafast Studies of Chemical Reactions in Polyatomic Molecules in Simple Liquids

查尔斯·哈里斯教授得到了 理论和计算化学课程进行 实验和理论研究的影响， 溶剂化作用对溶液中化学反应速率的影响。 他将测量单分子解离和双分子解离 皮秒和飞秒时间尺度上的复合率 使用各种实验方法，如瞬态 泵浦-探测电子吸收光谱学，瞬态的 拉曼散射和瞬态红外光谱。 的 他将研究的系统包括三原子，伪三原子， 单和双金属羰基化合物和取代的多烯。 在这些研究中使用的溶剂主要是单原子的 稀有气体液体 他还将进行分子 模拟系统正在研究使用广义 朗之万和广义布朗动力学。 %%% 气相化学反应理论 已经相当发达了。 关于这一点，我们所知甚少。 影响化学反应发生的因素 这是最重要的化学物质 反应发生。 在这些非常基础的研究中，哈里斯 将探索溶剂分子对 在溶液中的反应是由吸收一种 光的光子。 实验与理论相结合 将有助于更好地了解影响 溶液中的化学反应

Professor Charles Harris is supported by a grant from the Theoretical and Computational Chemistry Program to conduct experimental and theoretical studies of the effects of solvation on the rates of chemical reactions in solution. He will measure unimolecular dissociation and bimolecular recombination rates on picosecond and femtosecond timescales using a variety of experimental methods such as transient pump-probe electronic absorption spectroscopy, transient Raman scattering, and transient IR spectroscopy. The systems he will study include triatomics, pseudotriatomics, mono- and di- metal carbonyls, and substituted polyenes. The solvents used in these studies are primarily monatomic rare gas liquids. He will also perform molecular simulations of the systems being studied using Generalized Langevin and Generalized Brownian dynamics. %%% Theories dealing with chemical reactions in the gas phase are quite well developed. Much less is known about the factors which influence chemical reactions occurring in solution, and this is where most important chemical reactions occur. In these very fundamental studies, Harris will explore the effects which solvent molecules have on reactions in solution which are initiated by absorption of a photon of light. The combination of experiment and theory will lead to a better understanding of the factors affecting chemical reactions in solution.