Analysis of Skeletal Deformation Vibration Spectra in Relation to the Molecular Structure

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Abstract
Deformation vibrations associated with displacements of skeletal heavy atoms are mainly discussed. It is shown that skeletal deformation vibrations are sensitive to the change of an azimuthal angle θ and that the frequencies of the vibrations are specific for the structure of rotational isomers. The θ-dependency of skeletal deformation vibrations corresponds exactly to that of elements of a kinetic energy matrix \barG. The results emphasize the simplicity and the usefulness of the approximate normal coordinate treatment in which only skeletal heavy atoms are taken into account.