Synthesis and Study of Some Theoretically Interesting Molecules

一些理论上有趣的分子的合成和研究

• 批准号: 9314865
• 负责人: Weston Borden
• 金额: $ 49.5万
• 依托单位: University of Washington
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1994
• 资助国家: 美国
• 起止时间: 1994-01-01 至 1997-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9314865&HistoricalAwards=false
• 关键词: Synthesis; Study; Some; Theoretically; Interesting

9314865 Borden The focus of this research is the investigation of the physical and chemical properties of pyramidalized alkenes. Gas-phase measurements on the radical anions of the most highly pyramidalized alkenes will provide values for singlet-triplet energy spearations and heats of hydrogenation. Separate computational studies will be conducted on strained olefins, carbenes, potential surfaces for organic reactions, fluorine substituent effects, radicals, diradicals, effects of substituents and heteroatom substitution on open-shell molecules, and determining which computational methodologies are most appropriate for performing calculations on different types of open-shell systems. With this Renewal award, the Synthetic Organic Program is supporting the research of Dr. Weston T. Borden of the Department of Chemistry at the University of Washington. Professor Borden will focus his work on the experimental and computational studies of highly strained carbon-containing molecules. His work provides an insight into the limits of bonding possible for carbon. ***

小行星9314865 本研究的重点是调查的物理 以及烷烃化烯烃的化学性质。 气相 测量的自由基阴离子的最高 烷烃化烯烃将提供单线态-三线态的值， 能量分离和氢化热。 单独 将对应变烯烃进行计算研究， 卡宾，有机反应的势能面，氟 取代基效应，自由基，双自由基， 开壳层上的取代基和杂原子取代 分子，并确定哪些计算方法 最适合于在不同的 开壳系统的类型。 有了这个更新奖，合成有机计划是 支持韦斯顿T.博登的 华盛顿大学化学系。 博登教授将把他的工作重点放在实验和 高应变含碳材料的计算研究 分子。 他的工作提供了一个深入了解的局限性， 碳的结合是可能的 ***