Unimolecular Reaction Dynamics

本研究是实验物理化学计划的一部分，旨在研究简单原型分子在其解离阈值附近的光谱和动力学。本研究的目的是了解分子在解离过程中各种分子振动和旋转的相互作用。将进行完全状态分辨实验，以观察分子在解离阈值处的光谱，测量单个量子态的解离速率，并绘制产品自由度之间的能量和角动量释放图。研究的一个目的是建立振动自由度和旋转自由度之间的耦合程度，当一个分子沿着反应坐标进行解离产物。获得的数据应该为单分子反应的备选动力学模型提供强有力的测试。Ab-initio势面将使用最先进的动力学方法来比较理论和实验，提供完整的能量状态谱分辨率。

This research, part of the Experimental Physical Chemistry Program, is designed to study the spectroscopy and dynamics of simple prototypical molecules near their dissociation thresholds. The object of this study is to understand the interaction of the variety of molecular vibrations and rotations as a molecule proceeds along the path to dissociation. Fully state-resolved experiments will be done to observe the spectra of molecules at the threshold of dissociation, to measure dissociation rates for individual quantum states and to map the release of energy and angular momentum among product degrees of freedom. An aim of the study is to establish the extent of coupling between vibrational and rotational degrees of freedom as a molecule proceeds along the reaction coordinate to dissociation products. The data obtained should provide a strong test of alternative dynamical models of unimolecular reactions. Ab-initio potential surfaces will be used with state-of-the-art dynamical methods to compare theory and experiment which provide complete energy state spectral resolution.