Unimolecular Reaction Dynamics

单分子反应动力学

• 批准号: 8816552
• 负责人: C. Bradley Moore
• 金额: $ 112.31万
• 依托单位: University of California-Berkeley
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1988
• 资助国家: 美国
• 起止时间: 1988-12-01 至 1994-05-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=8816552&HistoricalAwards=false
• 关键词: Unimolecular; Reaction; Dynamics

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.

这项研究是实验物理化学的一部分， 程序，旨在研究光谱和动力学的 简单的原型分子接近解离 阈值。 本研究的目的是了解 各种分子振动的相互作用， 当分子沿着解离的路径前进时， 将进行完全状态分辨的实验来观察 在解离阈值的分子光谱， 测量单个量子态的解离速率， 绘制能量和角动量的释放， 自由度。 研究的目的之一是建立 振转耦合度 当分子沿着反应坐标运动时， 分解产物。 获得的数据应提供 单分子替代动力学模型强检验 反应. 从头算势能面将与 最先进的动态方法来比较理论和 提供完整能态谱的实验 分辨率