Normal coordinate analysis of urea meta nitro benzoic acid crystal

Abstract

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Urea meta nitrobenzoic acid is a crystal with the molecular formula C₈H₇O₄N₃. A normal coordinate analysis (NCA) has been carried out on this molecule with a systematic set of symmetry coordinates following Wilson’s F-G matrix method based on <i style="">C_s</i>point group symmetry. The frequency assignments in the FTIR and FTR spectra have been presented. A reasonable set of potential constants evaluated for this molecule has been compared with those of related molecules and are in the characteristic range. The potential energy distribution has been evaluated using the vibrational spectral data and molecular parameters. The potential energy distribution value obtained reflects the correctness of the assignment mode.

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