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

狭缝超音速射流中的高分辨率红外激光研究：自由基、分子和团簇的动力学

• 批准号: 9805541
• 负责人: David Nesbitt
• 金额: $ 42.3万
• 依托单位: University of Colorado at Boulder
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1998
• 资助国家: 美国
• 起止时间: 1998-08-15 至 2002-01-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9805541&HistoricalAwards=false
• 关键词: Resolution; IR; Laser; Studies; Slit

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.

在这个由化学部实验物理化学计划支持的项目中，Neskirt将使用红外激光吸收方法研究超音速狭缝喷嘴中瞬态物质的光谱和动力学。 他建议使用狭缝喷射放电来研究使用直接红外激光吸收的高活性自由基物种。 此外，他还将研究高流动性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，Nesperson建议进行量子变分计算来解释大振幅动力学，并测试这些物种的从头计算势能面。势能面的确定提供了理解和控制化学反应过程所需的信息。 Nesperson教授的研究将为一类重要的化学反应（称为重-轻-重反应）提供量子态和反应物方法几何信息。 从这项工作中获得的信息将是使用激光控制化学反应结果的重要一步。 该项目的信息对于理解化学燃烧、大气化学和等离子体诊断也很重要。