Derivation of and comments on Bonaccorsi-Scrocco-Tomasi potentials for electrophilic additions

Abstract

The Bonaccorsi-Scrocco-Tomasi electrostatic potential fields in molecules are shown to have the same form as potential surfaces derived by assuming that the Hellmann-Feynman force theorem holds for a rigid atom interacting with the rigid molecule. By using the Anderson-Parr theory of vibrational force constants, which assumes the same interaction model, the analytic form of corrections which make a Bonaccorsi-Scrocco-Tomasi potential exact near equilibrium in a diatomic molecule is shown to be proportional to |Rα|−1, where Rα is the position of nucleus α. © 1974, American Institute of Physics. All rights reserved.