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IJPAP Vol.44(04) [April 2006] >


Title: Normal coordinate analysis of urea meta nitro benzoic acid crystal
Authors: Gunasekaran, S
Natarajan, R K
Syamala, D
Rathikha, R
Keywords: FTIR
FTR spectra
Urea meta nitrobenzoic acid crystal
Normal coordinate analysis
Potential energy distribution
Issue Date: Apr-2006
Publisher: CSIR
IPC CodeG0IJ3/00
Abstract:  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 Cs 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.
Page(s): 315-319
ISSN: 0975-1041 (Online); 0019-5596 (Print)
Source:IJPAP Vol.44(04) [April 2006]

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