Flowing Afterglow - Guided Ion Beam Studies of Reactive Organic Intermediates

结合实验和理论研究， 的形成、热力学稳定性和化学反应性 将在气相中产生中性和离子有机碎片。 这项研究将测量连续的碳-碳和 简单有机化合物的碳氢离解能 例如环丙烷、苯、甲苯和萘， 表征所选离子碎片的气相反应性 参与了这些分子的一键一键的分解。一 流动余辉引导离子束仪器将用于 测量碰撞诱导解离的活化能 选择的碳炔、双自由基、三自由基和它们的 相应的负离子。这些数据将允许检查 热化学问题，例如 化学键中的电子促进（杂化）效应， 自由基和卡宾的固有布朗斯台德酸性， 第一、第二和第三碳氢化合物的相对量 苯及相关芳烃的键离解能 化合物，以及通过键耦合的能量效益， 有机双自由基自旋极化效应 %%% 有机动力学计划的这笔赠款支持 罗伯特·R教授的工作。普渡大学的乡绅 大学这项研究将测量连续的碳-碳和 几种简单有机物的碳氢键离解能 分子和表征气相反应性的选择 参与这种键接键分解的离子碎片。这些 实验将提供新的热化学数据， 离子碳为中心的活性中间体。分析这些 数据将允许评估一些重要的理论 化学概念，包括化学键和酸性 分子。

A combined experimental and theoretical investigation of the formation, thermodynamic stability, and chemical reactivity of neutral and ionic organic fragments in the gas-phase will be made. This study will measure sequential carbon-carbon and carbon-hydrogen dissociation energies for simple organic compounds such as cyclopropane, benzene, toluene, and naphthalene, and characterize the gas-phase reactivity of selected ionic fragments involved in the bond-by-bond disassembly of these molecules. A flowing afterglow-guided ion beam instrument will be used to measure activation energies for collision-induced dissociation reactions of selected carbynes, biradicals, triradicals, and their corresponding negative ions. These data will allow an examination of thermochemical issues such as the energetic consequences of electronic promotion (hybridization) effects in chemical bonding, the intrinsic Bronsted acidities of radicals and carbenes, the relative magnitudes of the first, second, and third carbon-hydrogen bond dissociation energies in benzene and related aromatic compounds, and the energetic benefit of through-bond coupling and spin polarization effects in organic biradicals. %%% This grant from the Organic Dynamics Program supports the continuing work of Professor Robert R. Squires at the Purdue University. This study will measure sequential carbon- carbon and carbon-hydrogen bond dissociation energies of some simple organic molecules and characterize the gas-phase reactivity of selected ionic fragments involved in this bond- by-bond disassembly. These experiments will provide new thermochemical data for neutral and ionic carbon-centered reactive intermediates. Analysis of these data will allow an evaluation of some important theoretical concepts in chemistry, which include chemical bonding and acidity of molecules.