Spectroscopy Predissociation Dynamics and Scattering of Van der Waals Systems

在这项由化学系实验物理化学计划资助的提案中，格鲁吉亚大学的亨宁·迈耶将继续研究货车范德瓦尔斯体系的光谱学、预解离和散射。 用红外光谱和分子束散射研究了电子基态和预解离动力学。 货车范德华系统涉及不同的内部角动量，电子（NO）和内部旋转（乙醛）的来源，将与分子，如水，CO，氮，甲烷和HF复合。 我们将研究内角动量对复合物束缚能级结构的影响，以及复合物在双分子碰撞中的能量转移效率。 将使用共振增强多光子电离（REMPI）和离子飞行时间分析来分析碎裂。 数据将进行分析，以期建立分子间动力学的内角动量的影响，例如，相对于非绝热效应在旋转电子耦合和大振幅振动。 实验研究将得到严格的理论处理的补充，无论是基于第一性原理还是在合理的近似框架内，这项研究中收集的数据将提供有关分子间能量转移和基元反应动力学的新见解。 特别是，对对流层碳氢化合物氧化产生的重要空气污染物乙醛的研究增加了对对流层臭氧形成的了解。 因此，这一基本项目对于理解全球变化等更实际的环境问题非常重要。

In this proposal funded by the Experimental Physical Chemistry Program of the Chemistry Division, Henning Meyer of the University of Georgia will pursue a program of research on the spectroscopy, predissociation, and scattering of van der Waals systems. IR and molecular beam scattering are used to study the electronic ground state and predissociation dynamics. Van der Waals systems involving different sources of internal angular momentum, electronic (NO) and internal rotational (acetaldehyde), will be complexed with molecules such as water, CO, nitrogen, methane, and HF. The influence of the internal angular momentum on the bound level structure of the complexes will be studied, as will the energy transfer efficiency of the complexes in bimolecular collisions. Resonance enhanced multiphoton ionization (REMPI) and ion time of flight analysis will be used to analyze fragmentation. The data will be analyzed with a view to establishing the effects of the internal angular momentum on the intermolecular dynamics, for example, with respect to non-adiabatic effects in rotational-electronic coupling and to large amplitude vibrations. The experimental studies will be complemented by a rigorous theoretical treatment, either based on first principles or within the framework of reasonable approximations.The data gathered in this study will provide new insights relevant to intermolecular energy transfer and elementary reaction dynamics. In particular, the studies on acetaldehyde, an important air pollutant resulting from the oxidation of tropospheric hydrocarbons, adds to the understanding of the formation of tropospheric ozone. This fundamental project thus is important for understanding more practical environmental issues such as global change.