The polarised Raman spectra of the three isomeric trifluoromethyl benzonitriles have been recorded in the region 50–4000cm−1. The near and farir spectra of these compounds have been recorded in the region 200–4000 cm−1 and 33–700 cm−1 respectively. To check the vibrational assignments normal coordinate analysis was performed using general valence force field. Very good agreement has been achieved between the observed and the calculated fundamental frequencies. It has been possible to resolve the controversies about the assignments of the C-CF3 stretching and CF3 symmetric stretching modes in substituted trifluoromethyl benzenes. Vibrational assignments together with the force fields for three isomers are reported for the first time.
Volume 135, 2023
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