Vibrational spectra and normal vibrations of acetanilide and N-deuterated acetanilide

Abstract

The Raman and infra-red spectra of acetanilide and N-methylacetamide and of their N-deuterated compounds have been recorded. The vibrational frequencies of acetanilide have been assigned and the nature of the Amide I, II and III bands in acetanilide and N-methylacetamide has been investigated by the study of the changes in the frequencies of these bands in the spectra of their deuterated compounds. Acetanilide and deuterated acetanilide molecules have been subjected to normal co-ordinate treatment and the mixing up of the skeletal frequencies arising out of the in-plane vibrations has been determined. These results indicate that as in secondary amides, the amide II and amide III bands in acetanilide are due to the combined contribution ofδ (NH) andν (C-N) vibrations, but the contribution ofν (C-N) to the amide II band is less in acetanilide and deuterated acetanilide than in cases of N-methylacetamide and deuterated N-methylacetamide.