SYMMETRY OF MOLECULAR-PROPERTIES .1. THEORY AND APPLICATIONS TO VIBRATION-ROTATION PROPERTIES OF SPHERICAL TOP MOLECULES

The symmetry of coefficients in the expansion of a given molecular property are shown to be obtainable through well defined tenser methods. The analytical expansions required of various vibrational and rotational tensors are given up to the fourth degree in dynamical variables. To illustrate the method, some rovibrational properties of spherical tops are considered. The symmetry of the associated molecular constants is expressed, simultaneously, for XY(4) and XY(6) molecules, by algebraic relations involving the independent constants and the coupling symbols of the molecular symmetry group. To allow comparisons, some examples are given for which the symmetry of the constants has been published already in the form of tables; the more complicated cases of the third order L tensor elements and of the quintic potential derivatives are also considered.