State-to-State Studies of Molecular Dynamics

在这个项目中的物理化学程序的化学 作者：Kenneth C.化学系的Janda 位于欧文的加州大学将开展一系列 稀有气体卤素货车的光谱学和动力学研究 德瓦耳斯化合物 其中包括HeBr 2和NeBr 2系统。 不 只有它们的结构才能被研究，尤其是 确定它们的弱相互作用的势能。 将采用尽可能高分辨率的光谱学， 获得Br 2和HeBr 2电子态的实验数据， NeBr 2和ArBr 2。 分子内振动能再分布 将研究ArBr 2中的动力学。 这项工作将扩大到 Br2嵌入大的He和Ne团簇的复合物。 这一研究对于理解 涉及大的含卤素分子簇的相互作用。 它 提供基准数据，用于开发 弱键合分子复合物的结构和动力学。

In this project in the Physical Chemistry program of the Chemistry Division, Professor Kenneth C. Janda of the Department of Chemistry of the University of California at Irvine will pursue a series of investigations on the spectroscopy and dynamics of rare gas- halogen van der Waals compounds. Among these are the HeBr2 and NeBr2 systems. Not only are their structures to be investigated, but especially the potential energies of their weak interactions are to be determined. Spectroscopy at the highest possible resolution will be employed to obtain experimental data on the electronic states of Br2, and on HeBr2 , NeBr2 and ArBr2. Intramolecular vibrational energy redistribution dynamics in ArBr2 will be investigated. This work will be extended to complexes in which Br2 is imbedded in large He and Ne clusters. This research is of great importance for the understanding the interaction involving large halogen-containing molecular clusters. It provides bench mark data for the development of models for the structures and dynamics of weakly bonded molecular complexes.