Chapter 3 - Molecular Symmetry—Part I: Point Group Assignment

Abstract

This chapter introduces molecular symmetry terminology which provides a methodical scheme for understanding symmetry point groups through an examination of the molecular geometry. Molecular symmetry is an important tool for understanding the structural aspects of molecules and their behavior. It is relevant to many areas of science including, but not limited to, quantum chemistry, force field analysis, and spectroscopy. Even though the notations related to molecular symmetry are typically not complicated, their application often requires the use of an extensive mathematics-based understanding known as “point group”. This chapter offers beginners the tools for dealing with diverse facets of this theory. It also provides examples of the application of this theory to specific molecules. The key areas covered include symmetry elements, symmetry operations, group properties, operation matrices, molecular structure, point groups, deduction of symmetry, and construction of symmetrical structures.