Vibrational Assignment for IF7—a Nonrigid D5h Molecule

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Abstract
The observed infrared and Raman frequencies of gaseous IF7 are assigned to the vibrational modes of a D5h model. The assignment is based on infrared band shapes, Coriolis coupling constants, force constants, and vibrational amplitudes. The present study confirms the theory that IF7 undergoes minor dynamic distortions from D5h symmetry. These distortions are observable through violations of the selection rules for the vibrational combination bands but do not cause a breakdown of selection rules for the fundamentals. Force constant calculations reveal that the axial bonds of IF7 are definitely shorter than the equatorial ones.

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