Vibrational spectra and normal coordinate analysis of nalidixic acid

Abstract

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Nalidixic acid is one of the important anti-bacterial with molecular formula C₁₂H₁₂N₂O₃. Fourier transform infrared (FTIR) and Fourier transform Raman (FTR) spectra of nalidixic acid have been used for the molecular study. A detailed vibrational analysis has been made on the fundamental modes of vibration. A normal coordinate analysis (NCA) has been carried out for nalidixic acid following the Wilson’s F – G matrix method assuming the ethyl and the methyl group as point masses. A set of potential constants has been evaluated using the method of kinetic constants on the basis of C_s point group symmetry. The evaluated potential constants have been compared with those of related molecules and are in the expected range to confirm the correctness of the assignments made. To check whether the chosen set of vibrational frequencies contribute maximum to the potential energy associated with the normal coordinates of the molecule potential energy distribution (PED) has been evaluated.

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