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Indian Journal of Pure & Applied Physics (IJPAP) >
IJPAP Vol.44 [2006] >
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 Code: | G0IJ3/00 |
| 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.
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| Page(s): | 315-319 |
| ISSN: | 0975-1041 (Online); 0019-5596 (Print) |
| Source: | IJPAP Vol.44(04) [April 2006]
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