Symmetry of molecular properties

1993

The symmetry of coefficients in the expansion of a given molecular property are shown to be obtainable through well defined tensor 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 XY4 and XY6 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 …