Intramolecular mode mixing in NaClO3and NaBrO3

摘要

TheFsymmetry phonons originating in the anion ngr;1and ngr;3intramolecular vibrations in single crystal NaClO3and NaBrO3contain contributions from both kinds of intramolecular motion. This intramolecular mode mixing is described in terms of the intermolecular coupling of vibrationally induced dipoles. The general problem of dipolar coupling in systems in which the intramolecular vibrational polarization directions are not coincident with the crystallographic axes is examined. Finally, the amount of intramolecular mode mixing in NaClO3and NaBrO3is calculated and discussed.