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Journal of Chemical and Pharmaceutical Research
Raman and FTIR spectra of nicotinic acid have been analysed using ab-initio and DFT calculations. Four stable structures were found for nicotinic acid, the structures differ in orientation of COOH with respect to the nitrogen atom. The optimized geometries, harmonic vibrational wave number, structural parameters and. Vibrational assignments have been made and calculated DFT frequencies and Raman intensities of nicotinic acid are found to be in better agreement with corresponding experimentalfatcat:2lqsvkud5fabnkgp6xrkbulphq