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IJPAP Vol.46(03) [March 2008] >


Title: Vibrational spectra and normal coordinate analysis of structure of procarbazine
Authors: Gunasekaran, S
Kumaresan, S
Seshadri, S
Muthu, S
Keywords: Fourier transform infrared spectrum
Fourier transform Raman spectrum
Procarbazine
Normal coordinate analysis
Potential energy distribution
Issue Date: Mar-2008
Publisher: CSIR
Abstract: Procarbazine (C₁₂H₁₉N₃O) is chemically known as N-(1-methylethyl)-4-[N′-(methylhydrazino) methyl] benzamide. It is used as an anti-neoplastic agent. Fourier Transform infrared (FTIR) and Fourier Transform Raman (FTR) spectra of procarbazine have been used for molecular investigation. A detailed vibrational analysis has been made on the fundamental modes of vibration. A normal coordinate analysis (NCA) has been carried out on procarbazine using the Wilson’s F-G matrix method. A set of potential constants has been evaluated using the method of kinetic constants on the basis of Cﻯ point group symmetry. The methyl groups are considered as point masses for simplicity. 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 (PED) has been evaluated.
Page(s): 155-161
ISSN: 0019-5596
Source:IJPAP Vol.46(03) [March 2008]

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