Treatment of Group Theory in Spectroscopy

The most important thing to consider when applying group theory is finding the molecule’s point group or its particular symmetry operations. In order to identify a molecule’s symmetry operations, one must first find the molecule’s symmetry elements. In other words, the first stage in utilizing group theory with molecular properties is identifying a molecule’s symmetry elements. For most beginners without experience this has proven to be most difficult because it requires the individual to visually identify the elements of symmetry in a 3D object. However, once this is overcome, applying group theory to forefront point groups and symmetry operations becomes second nature.