The shapes of pair polarizability curves

The relationship between the shapes of the pair polarizability curves of diatomic systems and chemical bonding is explored by means of molecular orbital calculations. The pair polarizability of a diatomic molecule can be split up into contributions from individual MO’s. This analysis shows that β(2)(R), like chemical bonding, is essentially determined by valence shell orbitals; hence the shapes of β(2)(R) curves for various pairs of interacting atoms can be related to the shapes of their potential curves. The relationship between β(2)(R) and molecular shape is illustrated for the system of a point positive charge and a chloride ion.