CARTESIAN AXIS AND PLANE CONVENTIONS IN Cnv SYMMETRY GROUPS

Abstract

In this work, we call the attention to the ambiguity found in the literature when labeling vibrations and molecular orbitals as B1 and B2 for molecules belonging to the C2v point group as, for example, the water molecule. A survey of several books and some articles shows that this ambiguity comes from a long time ago and persists today, being a source of misunderstanding and a waste of time for students and teachers. It means that, in the case of the point groups Cnv, Dn, and Dnh (n = 2, 4, 6), it is very important to draw students’ attention to this ambiguity that exists in the literature. It is unfortunate that the recommendation made by Mulliken, more than sixty years ago, to always place the water molecule in the yz plane, has not been followed.