Intramolecular Dynamics of Organic Reactions

有机反应的分子内动力学

• 批准号: 9528843
• 负责人: Barry Carpenter
• 金额: --
• 依托单位: Cornell University
• 依托单位国家: 美国
• 项目类别: Continuing grant
• 财政年份: 1996
• 资助国家: 美国
• 起止时间: 1996-03-15 至 1999-02-28
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9528843&HistoricalAwards=false
• 关键词: Intramolecular; Dynamics; Organic; Reactions

With funding from the Organic Dynamics Program, Professor Carpenter at Cornell University is investigating fundamental organic dynamics using theoretical and experimental chemistry. The theoretical portion deals with calculation of molecular trajectories in an effort to to determine the lifetimes of reaction intermediates. The hypothesis is that short lived species may have kinetic characteristics which are new and not adequately described by existing theory. In the experimental portion of the investigation, the principal investigator is testing this hypothesis using pericyclic systems with isotope labeling and supercritical fluid media. Stereoselectivity of reaction products is the preferred end point analysis for testing the new concept. In order to generalize the use of chemical reactions in a rational way, it is necessary to understand the reaction pathway in detail. While the chemical community has had a paradigm for many organic reactions, this proposed work challenges these traditional concepts and has preliminary data to support the new concepts. If successful, this investigation could have profound significance for understanding of chemical reactions.

在有机动力学项目的资助下，康奈尔大学的卡彭特教授正在利用理论和实验化学研究基础有机动力学。理论部分涉及分子轨迹的计算，以确定反应中间体的寿命。该假设认为，短命物种可能具有新的动力学特征，并且现有理论尚未充分描述。在研究的实验部分，主要研究人员正在使用具有同位素标记的周环系统和超临界流体介质来测试这一假设。反应产物的立体选择性是测试新概念的首选终点分析。 为了以合理的方式推广化学反应的用途，有必要详细了解反应途径。虽然化学界已经有了许多有机反应的范例，但这项拟议的工作挑战了这些传统概念，并有初步数据来支持新概念。如果成功，这项研究可能对理解化学反应具有深远的意义。