Dissociation energies for the electronic ground states of BeCl, GaH and LiH

Abstract

The dissociation energies of the diatomic molecules BeCl, GaH and LiH have been computed by fitting empirical potential functions to the true potential energy curves for the electronic ground states of the molecules. The Lippincott three-parameter potential function, the five-parameter Hulburt-Hirschfelder potential function and the Szöke and Baitz electronegativity potential function have been used. The estimated dissociation energiesD ⁰₀ are 4·50, 3·09 and 2·94 eV for BeCl, GaH and LiH respectively. These values compare well with the experimental values.