Orbital Momentum Densities and Weak Bonding Interactions

轨道动量密度和弱键合相互作用

• 批准号: 8808589
• 负责人: Michael Coplan
• 金额: $ 32.32万
• 依托单位: University of Maryland, College Park
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1988
• 资助国家: 美国
• 起止时间: 1988-11-01 至 1993-03-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=8808589&HistoricalAwards=false
• 关键词: Orbital; Momentum; Densities; Weak; Bonding

Drs. Coplan, Moore and Tossell from University of Maryland are supported by a grant from The Experimental Physical Chemistry Program to perform (e,2e) spectroscopy on a number of weakly bonded chemical systems. This unique experiment permits the direct observation of single molecular orbital momentum wavefunctions from which much information about the nature of the chemical bond can be obtained. This laboratory is the only one in the United States which has the capability of performing this very unique type of spectroscopy. The proposed research is directed at an enhanced understanding of the the way in which the outermost electron orbitals of two isolated species are modified upon the formation of a weak bond. By considering a variety of such interactions of carefully chosen strengths and geometries, these investigators plan to chart the interactions and relate them to the dynamics of chemical reactions. Five major classes of weakly bonded systems will be studied: 1) Lewis acid-base complexes, 2) Hydrogen bonded molecules, 3) Dimers, 4) Transition metal organometallic complexes, and 5) Molecules containing lone pairs and pi orbitals.

来自马里兰州大学的Coplan、摩尔和Tossell博士 得到了实验物理学基金会的资助 化学程序进行（e，2e）光谱上的一些 弱键合化学体系 这个独特的实验 单分子轨道动量直接观测 波函数，其中许多关于 可以获得化学键。 这个实验室是唯一 一个在美国有能力执行 这种非常独特的光谱学。 该研究旨在增强 理解最外层的电子 两个孤立物种的轨道被修改后， 形成弱键。 通过考虑各种这样的 精心挑选的强度和几何形状的相互作用， 这些研究人员计划绘制相互作用的图表， 化学反应的动力学。 五种主要类别 研究了弱键体系的几种主要类型：1）刘易斯酸碱 复合物，2）氢键分子，3）二聚体， 4)过渡金属有机金属配合物，和5）分子 包含孤对和π轨道。