Abstract

The use of a semiempirical method based on the application of Group Theory to a previously established geometrical model according to the molecular structure allowed us to carry out the vibrational analysis of infrared and Raman spectra in solid phase of some o-substituted benzoic acid derivatives. Because the influence of the different substituents on the frequency of the ring vibrational normal modes is slight, the study of the ring vibrations independently of the substituent internal vibrations was possible. On this basis a tentative assignment of the ring vibrational normal modes for the o-NH 2, o-CH 3, o-Cl and o-COOH benzoic acids is proposed.

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