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

有了这个更新奖，有机和高分子化学计划继续支持教授保罗G。Wenthold博士在印第安纳州西拉斐特普渡大学化学系进行了研究。 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。 虽然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有三个电子的三自由基却很少受到关注。在这些调查中，热形成的三自由基以及键离解能导致这些充满活力的物种将被测量。 该项目的第二个重点是离子系统的反应性。 最近发现的电子催化环化反应的范围的系统研究将被用来开发一个预测的反应模型。 这些研究将扩展到离子的气相加成和环加成反应。 将气相反应与溶液中的反应进行比较，以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，将影响化学，材料科学和工程。

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.