Intramolecular Dynamics of Organic Reactions

来自有机动力学项目的这笔赠款支持康奈尔大学的巴里·K·卡彭特教授的工作，他将评估动力学在什么情况下对反应的结果起作用。将合成专门设计的分子，用于研究分子内能量转移的基本原理，这将检验“统计”TST和RRKM模型。我们将研究超临界流体中的动态控制反应，以分析溶剂的组成对分子动力学的影响。将对分子内动力学的矢量模型进行评估，并将开发一个新的基于分子动力学的模型。在这个项目中，巴里·K·卡彭特教授将评估动力学在反应结果中发挥作用的情况，这对大范围的化学领域是非常重要的。已有半个世纪历史的经典理论将通过精心设计的实验进行检验。这一结果可能会影响到化学动力学理论的广泛领域，并可能改变我们未来对反应动力学的看法。

This grant from the Organic Dynamics Program supports the work of Professor Barry K. Carpenter at Cornell University who will assess the circumstances under which dynamics play a role in the outcome of a reaction. Specifically designed molecules will be synthesized for the study of the fundamentals of intramolecular energy transfer, which will test the `statistical' TST and RRKM models. Dynamically controlled reactions in supercritical fluids will be studied in order to analyze the components of solvent effects on molecular dynamics. A vector model for intramolecular dynamics will be evaluated and a new molecular dynamics-based model will be development. %%% In this project Professor Barry K. Carpenter will assess the circumstances under which dynamics play a role in the outcome of a reaction, which is highly significant subject to a large area of chemistry. Classical theories that are half a century old will be tested with carefully designed experiments. The results may impinge upon vast areas of chemical dynamics theory and may change the way we think about reaction dynamics in the future.