The icosahedral potential and its applications to the study of the anharmonic effects in the overtone levels of the degenerate vibrations of molecules with Ihsymmetry

摘要

The splitting of the overtone levels of the T1u, Gu, and Hgvibrations in molecules with Ihsymmetry has been calculated by using the perturbation theory. To do this it was necessary to establish beforehand the icosahedral potential, employing the usual procedure in crystal field theory. The total splitting, predicted by the group theory, is obtained when the anharmonicity up to the sixth power of the coordinates is taken into account. Expressions for the intensities of the infrared-active transitions of T1uvibrations are also proposed.