Computational Spectroscopy Lab

Vibration wavenumbers of 2-aminobenzotrifluoride in the ground and S1 electronic states from its infrared, Raman and supersonic jet S1-S0 fluorescence spectra.

Abstract

Raman and infrared spectra of 2-aminobenzotrifluoride, in the liquid phase, and single vibronic level fluorescence (SVLF) spectra, in a supersonic jet, have been recorded and assigned to give an almost complete set of fundamental vibration wavenumbers in S0. In the SVLF spectrum, the assignment of the I02 band, where νI is the NH2-inversion vibration, is not so straightforward as for 3- and 4-aminobenzotrifluoride, and the most likely assignment is discussed. The fluorescence excitation spectrum gives some lower vibrational wavenumbers in the S1 electronic state and shows a long progression in the CF3 torsional mode.

P.J.A. Ribeiro-Claro, J.J.C. Teixeira-Dias, R. D. Gordon, J.M. Hollas.