Abstract
The requirements of an electrostatic model of the intermonomer interactions needed to reproduce the CO stretch mode splitting, Δν(CO), in the formic acid dimer have been reexamined in the light of their also being consistent with intermonomer Coulomb and van der Waals energies. The experimental value of Δν(CO) has been reevaluated and is determined to be 71 cm-1. A complete cubic and quartic ab initio anharmonicity correction is found to be 9 cm-1. The remaining harmonic component of Δν(CO) can only be reconciled with the ab initio intermonomer Coulomb energy and the nonnegligible van der Waals energy if atomic dipoles are added to the charges and the charge fluxes of the electrostatic model.
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