Molecular Constants and Potential Energy Curves for Diatomic Molecules. II

Abstract

The potential energy expression ${\mathrm{U=e}}^{{\mathrm{-a(r-r}}_{12})}{\mathrm{-C}}^{\prime }{e}^{{\mathrm{-a\text{'}(r-r}}_e)}$ 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 r_e, calculated from ω_e, ω_eχ_e 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 r_e and the equations used in this paper is discussed.