Vibration Rotation Studies of Condensed Phase Dynamical Interactions

在这个项目中的物理化学计划的 化学部，H.施特劳斯 加州将研究 为了研究小分子之间的动力学相互作用， 凝聚相。 在这项工作中， 拉曼光谱学，中子光谱学，时间相关 振动激发和理论分析将被用来 探索一些液体和固体的动力学 系统. 重点是化学系统， 重要的一般方法或阐明重要的分子间 交互. 红外“烧孔”是用来研究 红外辐射引起分子变化的能力 低温下固体的构象和结构。 拉曼 溶解在水或冰中的氢气的光谱数据将被 结合理论计算来确定 这些系统中的相互作用。 近自由旋转 包埋在铵盐中的氘代铵离子将被 研究以确定观察到的不同比率的原因 反应的过程，并确定的影响， 不均匀的环境。 碘苯络合物 将通过拉曼光谱法研究相互作用， 来理解基态和激发态的动力学。 %%% 这些调查有助于提高我们对 凝聚相中的分子相互作用。 这些 相互作用对反应动力学有着深远的影响 以及液体和固体系统中的动力学。 的工作 溶解在冰中的氢分子将提供重要的数据 量子力学旋转器的行为， 古典浴，并将协助发展， 这个过程的理论模型。 这样的知识， 用于了解寒冷行星和卫星的性质 据信在其内部含有氢/冰系统， 表层

In this project in the Physical Chemistry Program of the Chemistry Division, Prof. H. Strauss of the University of California will investigate the vibration-rotation spectra of small molecules in order to study the dynamical interactions in the condensed phase. In this work the methods of infrared and Raman spectroscopy, neutron spectrscopy, time-dependent vibrational excitation, and theoretical analysis will be used to explore the dynamics of a number of liquid and solid systems. The emphasis is on chemical systems that illustrate important general methods or elucidate important intermolecular interactions. Infrared "holeburning" is used to study the ability of infrared radiation to cause changes in the molecular conformation and structure in solids at low temperature. Raman spectral data of hydrogen gas dissolved in water or ice will be combined with theoretical calculations to determine the nature of the interactions in these systems. The nearly free rotation of deuterated ammonium ions embedded in ammonium salts will be studied to ascertain the cause of observed different rate processes of reactions and to determine the effect of the inhomogeneous environment on them. The iodine-benzene complex interaction will be investigated by Raman spectroscopy in order to understand the dynamics of the ground and excited states. %%% These investigations serve to improve our understanding of molecular interactions in the condensed phase. These interactions have a profound effect on the reaction dynamics and kinetics in liquid and solid systems. The work on molecular hydrogen dissolved in ice will provide important data on the behavior of a quantum mechanical rotator embedded in a classical bath and will assist in the development of theoretical models for this process. Such knowledge will be of use in understanding the properties of cold planets and moons which are believed to contain the hydrogen/ice system in their surface layers.