Intramolecular Dynamics of Organic Reactions

有机反应的分子内动力学

• 批准号: 9876387
• 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: Standard Grant
• 财政年份: 1999
• 资助国家: 美国
• 起止时间: 1999-05-01 至 2003-04-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9876387&HistoricalAwards=false
• 关键词: Intramolecular; Dynamics; Organic; Reactions

This project explores reaction dynamics from a theoretical as well as an experimental standpoint. The overall purpose is to investigate the extent to which nonstatistical dynamics play a role in normal thermal reactions. Results already in hand suggest that these dynamics may be quite important. Collaborative theoretical work will explore the dynamics of carbene formation and their rearrangements, the Cope rearrangement, and conformational dynamics of small peptides. Experimental studies will seek to provide evidence of nonstatistical effects in carbene rearrangements and reactions in supercritical fluids.With this Award, the Organic and Macromolecular Chemistry Program continues support for Professor Barry K. Carpenter of Cornell University-Endowed. Professor Carpenter studies the intricacies of organic chemical reactions with a view to understanding more fully the assumptions that underlie organic chemists' ideas about how they work. Carpenter and his collaborators will use computer simulations to test hypotheses and formulate theoretical results, which will then be tested in the laboratory for validity.

该项目从理论和实验的角度探讨反应动力学。 总的目的是调查非统计动力学在正常热反应中发挥作用的程度。 已有的结果表明，这些动态可能相当重要。 合作的理论工作将探讨卡宾形成的动力学和它们的重排，科普重排和小肽的构象动力学。 实验研究将寻求提供超临界流体中卡宾重排和反应的非统计效应的证据。有了这个奖项，有机和大分子化学计划继续支持教授巴里K。康奈尔大学的木匠。 卡彭特教授研究有机化学反应的复杂性，以期更全面地理解有机化学家关于其工作原理的假设。 卡彭特和他的合作者将使用计算机模拟来测试假设并制定理论结果，然后在实验室中进行有效性测试。