State-to-State Studies of Molecular Dynamics

分子动力学的国家间研究

• 批准号: 9423504
• 负责人: Kenneth Janda
• 金额: $ 35.04万
• 依托单位: University of California-Irvine
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1995
• 资助国家: 美国
• 起止时间: 1995-05-01 至 1998-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9423504&HistoricalAwards=false
• 关键词: State; Studies; Molecular; Dynamics

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.

加州大学欧文分校化学系的Kenneth C. Janda教授将在化学系物理化学项目中对稀有气卤范德华化合物的光谱和动力学进行一系列的研究。其中包括HeBr2和内布拉斯2系统。不仅要研究它们的结构，而且要确定它们弱相互作用的势能。将采用尽可能高分辨率的光谱学来获得Br2、HeBr2、NeBr2和ArBr2电子态的实验数据。将研究ArBr2分子内振动能量再分配动力学。这项工作将扩展到Br2嵌入在大型He和Ne簇中的配合物。该研究对理解含卤素大分子团簇的相互作用具有重要意义。它为弱键分子配合物的结构和动力学模型的发展提供了基准数据。