Fourier transform infrared and Raman spectral assignments and analysis of 7-amino-4-trifluoromethylcoumarin

Abstract

FTIR and FT-Raman spectra of 7-amino-4-trifluoromethylcoumarin (ATMC) have been recorded in the range 4000–400 and 3500–100 cm −1, respectively, using Bruker IFS 66 V spectrometer. A detailed vibrational analysis has been carried out and assignments of the observed fundamental bands have been proposed on the basis of peak positions, relative intensities, fundamentals, overtones and combination bands. With hope of providing more and effective information on the fundamental vibrations, a normal co-ordinate analysis has been performed by assuming C S point group symmetry. The simple valance force field (SVFF) has been employed in normal co-ordinate analysis and to calculate the potential energy distribution (PED) for each fundamental vibration are reported. The PED contribution to each of the observed frequencies shows the reliability and precision of the spectral analysis.