对称性与光谱学-第一章.pptVIP

When an object exhibits some characteristics (geometry or topology) that are the same when we view the object in different ways Symmetry operation. An operation that moves a molecule into a new orientation equivalent to its original one Symmetry element. A point, line or plane to which the symmetry operation is performed Principle (highest order) axis is defined as Z axis After Mulliken s(xz) in plane perpendicular to molecular plane s(yz) in plane parallel to molecular plane both examples of sv sv : reflection in plane containing highest order axis sh : reflection in plane perpendicular to highest order axis sd : dihedral plane generally bisecting sv * Symmetry and Spectroscopy Wang Xiaojing Department of Chemistry, College of Chemistry and Chemical Engineering, Inner Mongolia University, Huhhehot city Inner Mongolia autonomous region, China Reference book: G. Davidson “Group Theory for Chemists” ISBN: 03334922978 or 0333492986 A.Vincent “ Molecular Symmetry and Group Theory: A programmed Introduction to Chemical Applications.” ISBN: 0471489387 0471489395 A.F.Cotton “ Chemical Applications of Group Theory” ISBN 0471510947 Symmetry Elements and Operations of Free Molecules Οinvariance to transformation in space 对称：一个物体包含若干等同部分，对应部分相等。 What is symmetry? 对称性的世界 宏观世界----植物, 树叶; 动物; 昆虫; 人体 微观世界----电子云; 某些分子 What are some common examples of this? Human body, Autobahn, a cup Can you suggest others? Re2(CO)10 C2F4 C60 What is this good for? Symmetry determines crystal packing, orbital overlap, spectroscopic properties Symmetry is the way spectroscopists and other chemists specify the structure of a molecule in a very complete way First thing we will want to do is learn how to classify molecules into their point groups The way this is done, we look for critical symmetry operations 目标: 从对称的观点研究分子立体构型（几何构型）和能量构型 ( 电子构型 ) 的特性。 Why worry about it? Symmetry: Construct bonding based on atomic orbitals Predict s