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

有了这一续期奖，有机和高分子化学项目继续支持普渡大学西拉斐特化学系教授保罗·G·温托尔德的工作。这项研究将扩展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，但在能量相当的三个轨道上有三个电子的三个自由基却很少受到关注。在这些研究中，将测量导致这些高能物种的三自由基的形成热以及键的解离能。该项目的第二个重点是离子体系的反应性。对最近发现的电子催化环化反应范围的系统研究将被用来开发一个预测的反应性模型。这些研究将扩展到离子的气相加成和环加成反应。气相反应和溶液反应的比较将被用来深入了解影响产物和选择性的因素。这些研究有望提供丰富的热力学和动力学信息，这些信息将对化学、材料科学和工程学产生影响。

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.