Influence of the potential function on the determination of multipole moments from pressure-induced far-infrared spectra

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Abstract
The effect of the choice of the potential function on the evaluation of molecular multipole moments from pressure‐induced far‐infrared spectra is investigated. The analysis is restricted to low densities where collisions are predominantly bimolecular. The quadrupole and hexadecapole moments of N2 and O2, and the octupole and hexadecapole moments of CH4 and CF4 are evaluated from far‐infrared data using potential models consisting of a spherically symmetric part represented by the Lennard‐Jones, Kihara, and m–6–8 potentials and an anisotropic part representing the electrostatic interactions of the permanent multipole moments. In general, although different values of the multipole moments are obtained with different potentials, for similar molecular diameters the variation is not great.