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Indian Journal of Pure & Applied Physics (IJPAP) >
IJPAP Vol.43 [2005] >
IJPAP Vol.43(11) [November 2005] >
| Title: | Vibrational spectra and normal coordinate analysis on an organic non-linear optical crystal-3-methoxy-4-hydroxy benzaldehyde |
| Authors: | Gunasekaran, S
Ponnusamy, S |
| Keywords: | Normal coordinate analysis
FTIR
Laser Raman spectra
Non-linear optical
Vanillin
F-G matrix |
| Issue Date: | Nov-2005 |
| Publisher: | CSIR |
| IPC Code: | G01J3/44 |
| Abstract: |
The crystal 3-methoxy-4-hydroxy benzaldehyde
(vanillin) is a potential non-linear organic crystal. The FTIR and laser Raman
spectroscopy have been used to make a qualitative analysis and structural
confirmation on vanillin. The molecular structure of vanillin belongs to Cs
point group symmetry. A normal coordinate analysis of vanillin has been carried
out following Wilson’s
F-G matrix method using the general quadratic valence force field. A set of
orthonormalised symmetry coordinates satisfying the transformation properties
is constructed. The validity of the vibrational assignments is supported
evaluating the potential constants of the molecule of vanillin. Further, the
potential energy distribution has also been evaluated to check, whether the
chosen set of vibrational frequencies contribute to the maximum potential
energy associated with the normal coordinate of the molecule.
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| Page(s): | 838-843 |
| ISSN: | 0975-1041 (Online); 0019-5596 (Print) |
| Source: | IJPAP Vol.43(11) [November 2005]
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