An International Research Journal

AJP

SSN : 0971 - 3093

Vol  7, No 2, April-June, 1998

Asian Journal of Physics                                                                                                       Vol. 7, No. 2, (1998) 229-249


FTIR and Raman spectra of 2,4-difluorobenzonitrile


V K RASTOGI, M ALCOELA PALAFOX*, S SINGH and S K SINGHAL

Department of Physics, L.R. College, Sahibabad - 201 005, INDIA.

*Departamento de Quitnica-Fisica (Espectroscopia). Facultad de Ciencias Quimicas. Universidad Complutense. Madrid - 28040. SPAIN.

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FTIR spectra of 2,4-ditluorobenzonitrile were recorded in KBr pellet and Nujol mull in the region 200-4000 cm-1 on a Nicolet DX spectrometer and in liquid and vapour phases on a Jasco FTIR/7000 spectrometer. Raman spectrum was recorded in the region 50-4000 cm-1 on a Jasco K-500 spectrophotometer using the 488.0 nm radiation from an argon ion laser. The observed vibrational frequencies were analysed and assigned to different normal modes of the molecule. Ab initio and density functional calculations were performed to support our frequency assignments. Specific scale factors were deduced and employed in the predicted frequencies. The geometry structure was determined and several thermodynamic parameters were also calculated.

Total Refs : 35

FTIRand Raman spectra of 2,4-difluorobenzonitrile.pdf
V K Rastogi, M Alcolea Palafox*, S Singh and S K Singhal

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