Vibrational Dynamics: Weakly Bound Complexes and Molecule Surface Scattering

振动动力学：弱结合配合物和分子表面散射

• 批准号: 9710026
• 负责人: Roger Miller
• 金额: $ 55.99万
• 依托单位: University of North Carolina at Chapel Hill
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1997
• 资助国家: 美国
• 起止时间: 1997-07-15 至 2000-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9710026&HistoricalAwards=false
• 关键词: Vibrational; Dynamics; Weakly; Bound; Complexes

Roger E. Miller of the University of North Carolina at Chapel Hill is supported by the Experimental Physical Chemistry Program and the Office of Multidisciplinary Activities to continue his high resolution infrared studies on the state-to-state dynamics of weakly bound complexes. He will focus on the water dimer, which is of particular interest to the theoretical chemistry community, and measure the rotational and vibrational photofragment distributions, scalar and vector correlations, and dissociation energies. In a newer effort, Miller will investigate the intermolecular forces and vibrational energy transfer associated with the scattering of vibrationally excited species from single crystal surfaces. Emphasis here will be on improvements in experimental methods and the investigation of more complex, polyatomic molecules. Molecular clusters of two to tens of molecules loosely bound together can be viewed as the intermediary stage between `isolated` single gas molecules and the extended arrays of molecules that make up the solid. Understanding the behavior of such clusters helps us to better understand the nature of the transition from gas to solid. As it is, clusters are fairly ubiquitous and play important roles in atmospheric chemistry, thus we need to understand the dynamics of their formation and fragmentation, the nature of the forces between the molecules that make up the cluster. The newer effort on the study of the forces that influence how a single gas molecule interacts with a `supercluster` or surface can be viewed as a simple extension of the earlier work by Miller.

罗杰·E位于查佩尔山的北卡罗来纳州大学的米勒是 由实验物理化学计划和办公室支持 继续他的高分辨率红外 弱束缚复合物的态-态动力学研究。 他 将集中在水二聚体，这是特别感兴趣的， 理论化学社区，并测量旋转和 振动光碎片分布，标量和矢量相关性， 和离解能。 在一项新的努力中，米勒将调查 分子间力和振动能量转移与 单晶中振动激发态的散射 表面。这里的重点将放在实验方法的改进上 以及研究更复杂的多原子分子。 两个到几十个分子松散地结合在一起的分子簇可以 被看作是“孤立的”单一气体之间的中间阶段 分子和组成固体的分子的延伸阵列。 了解这些集群的行为有助于我们更好地理解 从气体到固体转变的本质。 事实上，集群是 在大气化学中扮演着重要的角色， 我们需要了解它们的形成和分裂的动力学， 组成团簇的分子间作用力的性质。 对影响一个单一的 气体分子与“超团簇”或表面的相互作用可以看作是 米勒早期工作的简单扩展。