Molecular Complexes: Perturbations of Vibrational Spectra

Abstract

The structures, interaction energies, and vibrational spectra of a series of molecular complexes containing boron trifluoride as the electron acceptor and a variety of oxygen, nitrogen, sulfur, and halogen bases as the electron donors have been computed. The effects of the molecular interactions on the vibrational properties of the boron trifluoride species have been studied, and the degree of perturbation has been correlated with some of the properties of the bases.