Molecular Constants and Potential Energy Curves for Diatomic Molecules. II

Publisher Website
Google Scholar
Abstract
The potential energy expression U=e−a(r−r12)−C′ e−a'(r−re) previously applied to diatomic molecules containing only first row elements is now applied to other types. For most of them the same value of a (6.0 × 108 cm—1) can be used satisfactorily, the r12 values then being additive and depending only on the row of the periodic table in which the atoms occur. Molecules containing but few electrons require different values of a and r12. Values of the equilibrium distance re, calculated from ωe, ωeχe and these constants, are in most cases within 0.02 or 0.03A of the experimentally determined distances (see Table V). The relation between Badger's empirical equation for the calculation of re and the equations used in this paper is discussed.