Orbital Momentum Densities and Weak Bonding Interactions

Drs。来自马里兰大学的Coplan， Moore和Tossell得到了实验物理化学项目的资助，对一些弱键化学体系进行（e,2e）光谱分析。这个独特的实验允许直接观察单个分子轨道动量波函数，从中可以获得有关化学键性质的许多信息。这个实验室是美国唯一一个有能力进行这种非常独特的光谱学的实验室。所提出的研究旨在加强对两个孤立物质的最外层电子轨道在形成弱键时被修改的方式的理解。通过考虑各种精心选择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，并将它们与化学反应的动力学联系起来。将研究五大类弱键体系：1)路易斯酸碱配合物，2)氢键分子，3)二聚体，4)过渡金属有机金属配合物，5)包含孤对和π轨道的分子。

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.