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 |R_α|⁻¹, where R_α is the position of nucleus α.