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IJPAP Vol.47(08) [August 2009] >


Title: Vibrational spectra and normal coordinate analysis of diethyl carbamazine
Authors: Gunasekaran, S
Anita, B
Keywords: Diethyl carbamazine
Fourier transform infrared and Raman spectra
Normal coordinate analysis
Potential energy distribution
Issue Date: Aug-2009
Publisher: CSIR
Abstract:  A normal coordinate analysis has been carried out for diethyl carbamazine using the vibrational frequencies observed in the FTIR and FTRaman spectra. An orthonormal set of symmetry coordinates has been constructed and Wilson’s F-G matrix method has been used for normal coordinate analysis. A satisfactory vibrational band assignment has been made for the molecule in terms of normal modes of vibration using FTIR and FTRaman spectroscopy. A reasonable set of potential constants evaluated for the molecule is found to be in good agreement with the previous studies, thereby confirming the vibrational assignments. Further, to check whether the chosen set of vibrational frequencies contributes maximum to the potential energy associated with the normal coordinates of the molecule, potential energy distribution has been calculated.
Page(s): 563-567
ISSN: 0975-1041 (Online); 0019-5596 (Print)
Source:IJPAP Vol.47(08) [August 2009]

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