Isomerizations of Isotopically Labeled Hydrocarbons

在化学学部有机动力学项目的资助下，雪城大学的约翰·鲍德温教授将研究涉及双自由基中间体或过渡态的化学反应的特征。一些小的，张力环化合物的异构化的立体化学将被确定使用氘，或偶尔碳-13，标记作为立体化学标记。提出用于研究的小系统允许对适当的超表面进行高质量的量子力学计算，这反过来又允许有机反应的理论和实验之间进行独特的详细比较。对最简单、最直观的化学反应进行详细的了解，是理解化学反应本质的一种方式。这项工作为简单热分子重排的最终量子力学理解提供了实验基础。

With funding from the Organic Dynamics Program in the Chemistry Division, Professor John Baldwin of Syracuse University will study the characteristics of chemical reactions involving diradical intermediates or transition states. The stereochemistry of the isomerizations of several small, strained ring compounds will be determined using deuterium, or occasionally carbon-13, labels as stereochemical markers. The small systems proposed for study allow for high quality quantum mechanical computations of the appropriate hypersurfaces, which in turn allows a uniquely detailed comparison between theory and experiment for organic reactions. Understanding of the simplest, and the most straightforward appearing, chemical reactions at a level of great detail is a way to understand the very nature of chemical reactivity. This work provides the experimental foundation for eventual quantum mechanical understanding of simple thermal molecular rearrangements.