Vibration Rotation Studies of Condensed Phase Dynamical Interactions

在化学学部物理化学项目中，加州大学H. Strauss教授将研究小分子的振动-旋转光谱，以研究凝聚相中的动力学相互作用。在这项工作中，红外和拉曼光谱、中子光谱、时变振动激发和理论分析的方法将被用于探索一些液体和固体系统的动力学。重点是说明重要的一般方法或阐明重要的分子间相互作用的化学系统。红外“烧孔”是研究红外辐射在低温下引起固体分子构象和结构变化的能力。溶解在水或冰中的氢气的拉曼光谱数据将与理论计算相结合，以确定这些系统中相互作用的性质。将研究嵌入在铵盐中的氘化铵离子的近自由旋转，以确定所观察到的不同反应速率过程的原因，并确定不均匀环境对它们的影响。为了了解基态和激发态的动力学，将用拉曼光谱研究碘-苯配合物的相互作用。这些研究有助于提高我们对缩合相中分子相互作用的理解。这些相互作用对液体和固体体系的反应动力学和动力学有着深远的影响。关于溶解在冰中的氢分子的工作将提供嵌入在经典浴中的量子力学旋转器行为的重要数据，并将有助于该过程的理论模型的发展。这些知识将有助于理解那些被认为在其表层含有氢/冰系统的寒冷行星和卫星的特性。

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.