Abstract
An attempt to predict the force constants, k AB, of bond-bond interaction in linear triatomic molecules, ACB, has been made using the following expression which is derived by the application of second order perturbation theory to a linear triatomic system; k AB = 2 Z A Z B R 3 0(AB) (1-ƒ AB), where Z A and Z B are the nuclear charges, R 0(AB) is the equilibrium internuclear distance, and ƒ AB is the shielding factor due to the relaxation of the electron cloud following a small displacement of R 0(AB). It has been shown that this equation works well for electron delocalized molecules but is worthless for electron localized molecules.
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