Mass Spectrometric Studies of Organic Reactivity and Structure: Ion Reactions and Triradicals

有机反应性和结构的质谱研究：离子反应和三自由基

• 批准号: 0454874
• 负责人: Paul Wenthold
• 金额: --
• 依托单位: Purdue University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2005
• 资助国家: 美国
• 起止时间: 2005-06-01 至 2008-12-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0454874&HistoricalAwards=false
• 关键词: Mass; Spectrometric; Studies; Organic; Reactivity

With this renewal award, the Organic and Macromolecular Chemistry Program continues its support of the work of Professor Paul G. Wenthold of the Department of Chemistry at Purdue University, West Lafayette, IN. The research will extend the PI's work on the gas phase chemistry of organic ions and triradicals. Although radicals and diradicals have been well studied, triradicals with three electrons in three orbitals of comparable energy have received little attention. In these investigations, heats of formation of triradicals as well as bond dissociation energies leading to these energetic species will be measured. A second focus of the project is on the reactivity of ionic systems. A systematic study of the scope of a recently discovered electron-catalyzed cyclization reaction will be used to develop a predictive reactivity model. These studies will be extended to gas-phase addition and cycloaddition reactions of ions. Comparison of the gas-phase reactions with those in solution will be used to gain insight into the factors that affect the products and selectivity. These studies are expected provide a wealth of thermodynamic and kinetic information that will impact upon chemistry, material science, and engineering.

通过这一续奖，有机和高分子化学项目将继续支持印第安纳州西拉斐特普渡大学化学系 Paul G. Wenthold 教授的工作。 该研究将扩展 PI 在有机离子和三自由基气相化学方面的工作。 尽管自由基和双自由基已经得到了很好的研究，但在三个能量相当的轨道上具有三个电子的三自由基却很少受到关注。在这些研究中，将测量三自由基的形成热以及导致这些高能物质的键解离能。 该项目的第二个重点是离子系统的反应性。 对最近发现的电子催化环化反应范围的系统研究将用于开发预测反应模型。 这些研究将扩展到离子的气相加成和环加成反应。 气相反应与溶液反应的比较将用于深入了解影响产物和选择性的因素。 这些研究预计将提供丰富的热力学和动力学信息，对化学、材料科学和工程学产生影响。