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Title: Vibrational spectra, normal coordinate analysis and thermodynamics of 2-chloro-5-nitrobenzonitrile
Authors: Rastogi, VK
Singhal, Surabhi
Kumar, A Pavan
Rao, G Ramana
Palafox, MA
Kostova, Irena
Keywords: Vibrational spectra;Normal coordinate analysis;Thermodynamics;Nitrobenzonitrile
Issue Date: Dec-2009
Publisher: CSIR
Abstract: The laser Raman (0-3500 cm–1) and FTIR (200-4000 cm–1) spectra (Nujol, KBr, liquid and vapour) of 2-chloro-5-nitrobenzonitrile have been recorded. A zero-order normal coordinate analysis has been made for the molecule using force constants derived earlier. On the basis of potential energy distributions and eigen vectors unambiguous vibrational assignments have been made for all the fundamentals of the molecule. The ideal gas state thermodynamic functions of the molecule are also computed in the temperature range 200-1500 K by utilizing the observed fundamental frequencies assuming rigid–rotor harmonic oscillator approximation.
Page(s): 844-851
ISSN: 0975-1041 (Online); 0019-5596 (Print)
Appears in Collections:IJPAP Vol.47(12) [December 2009]

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