Organic Ion-Molecule Chemistry

有机离子分子化学

• 批准号: 9217471
• 负责人: Steven Kass
• 金额: $ 27.51万
• 依托单位: University of Minnesota-Twin Cities
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1992
• 资助国家: 美国
• 起止时间: 1992-08-01 至 1995-10-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9217471&HistoricalAwards=false
• 关键词: Organic; Ion; Molecule; Chemistry

The relationship between structure, reactivity, and energetics of gas phase organic ion-molecule reactions will be investigated. A variable temperature flowing afterglow apparatus, along with ab initio molecular orbital calculations, will be used to carry out these studies. The resulting information will provide mechanistic insights which are unavailable from condensed phase work. Species to be investigated include vinyl, cyclopropyl, and alkyl anions. As well, unimolecular rearrangements and substituent effects will be studied. These investigations will provide critical information on a number of important areas including hydrogen bonding, nucleophilic substitution, eliminations, orbital symmetry controlled reactions, and the relationship between structure, reactivity, and energetics. %%% Many important reactions occur are in the gas phase, including most of the reactions involved in atmospheric chemistry. This project will therefore not only contribute to an understanding of the fundamental principles which control a variety of chemical transformations, but will also provide a paridigm for understanding processes which occur in the atmosphere. In this grant from the Organic Dynamics Program to Professor S. Kass at the University of Minnesota, particular attention will be paid to investigation of reactions and rearrangements in the gas phase which involve negatively charged organic species called anions.

结构、反应性和能量学之间的关系 气相有机离子-分子反应将是 研究了变温流动余辉 仪器，沿着从头计算分子轨道计算， 将用于开展这些研究。所得 信息将提供机械的见解， 不能从凝聚相工作中获得。物种 研究的阴离子包括乙烯基、环丙基和烷基阴离子。作为 单分子重排和取代基效应 被研究。这些调查将提供关键的 包括氢在内的一些重要领域的信息 成键，亲核取代，消除，轨道 对称性控制的反应，以及 结构、反应性和能量学。 %%% 许多重要的反应都发生在气相中，包括 大气化学中的大多数反应。这 因此，该项目不仅有助于了解 这些基本原则控制着各种 化学转化，但也将提供一个paridigm为 了解发生在大气中的过程。在这 从有机动力学计划授予教授S。卡斯在 明尼苏达大学，将特别关注 研究气体中的反应和重排 这一阶段涉及带负电荷的有机物种， 阴离子。