Laser Raman and IR spectra and force fields for 2,6-difluorobenzonitrile

Abstract

Raman spectrum of 2,6-difluorobenzonitrile in the powder form has been recorded in the region 50-4000 cm-1 on a Jasco K-500 spectrophotometer using the 488.0 nm radiation from an argon laser. IR spectra in the region 200-4000 cm-1 have been recorded in KBr pellet and nujol mull on a Nicolet DX spectrometer and in liquid and vapour phases on a Jasco FTIR/7000 spectrometer. Using these observed frequencies force field calculations for the planar and non-planar modes have been carried out assuming a general valence force field. © 1997 Elsevier Science B.V.