High Resolution IR Laser Studies in Slit Supersonic Jets: Dynamics of Radicals, Molecules, and Clusters

在化学部实验物理化学计划的支持下，Nesbitt将使用红外激光吸收方法研究在超音速狭缝喷管中膨胀的瞬时物质的光谱和动力学。他建议使用狭缝喷射放电，利用直接红外激光吸收来研究高活性自由基物种。此外，他还将研究高流动喷射冷却分子离子和中性团簇的大振幅振动动力学，以及离子团簇中的质子转移动力学。为了支持实验研究，Nesbitt建议进行量子变分计算来解释这些物种的大振幅动力学，并测试这些物种的从头算势能面。势能面的确定为理解和控制化学反应过程提供了所需的信息。奈斯比特教授的研究将为被称为重-轻-重反应的一类重要的化学反应提供量子态和反应物方法的几何信息。从这项工作中获得的信息将是朝着使用激光控制化学反应结果迈出的重要一步。来自该项目的信息对了解化学燃烧、大气化学和等离子体诊断也很重要。

In this project supported by the Experimental Physical Chemistry Program of the Chemistry Division, Nesbitt will use IR laser absorption methods to study the spectroscopy and dynamics of transient species expanded in a supersonic slit nozzle. He proposes using a slit jet discharge to study highly reactive radical species using direct IR laser absorption. In addition, he will investigate large amplitude vibrational dynamics of highly fluxional jet-cooled molecular ions and neutral clusters, and proton transfer dynamics in ion clusters. To support the experimental studies, Nesbitt proposes to carry out quantum variational calculations to interpret the large amplitude dynamics and test ab initio potential energy surfaces for these species.The determination of potential energy surfaces provides the information needed to understand and control the course of a chemical reaction. Professor Nesbitt's studies will provide quantum state and reactant approach geometry information for an important class of chemical reactions known as heavy-light-heavy reactions. The information obtained from this work will be an important step towards using lasers to control the outcome of chemical reactions. The information from this project is also important in understanding chemical combustion, atmospheric chemistry and plasma diagnostics.