The calculation of atomic polarization

Abstract

By forming an equation for the potential energy of a molecule and applying the condition that this is a minimum at equilibrium, a general method of computing atomic polarizations becomes available. Expressions, in terms of bond lengths, intervalency angles, link moments, and force constants, are quoted for 10 types of polyatomic structures. The AP's predicted are compared with those from experiment. New measurements of the total polarizations as vapours are recorded for the species CCl4, SiCl4, CS2, BCl3, and CH3.NO2.