Vibration–rotation spectra of the ν1, ν3 and ν5 parallel bands and potential constants of CF3C CH

Abstract

The rotational structure in the parallel bands ν₁, ν₃ and ν₅, of CF₃C CH is fully analysed at a resolution of 0.06 cm^–1. The infrared band centres have been found, respectively, at 3328.673, 1253.495 and 536.161 cm^–1 and the main features of these three bands have been qualitatively explained. The rotational J structures of 235 lines were resolved and analysed by means of least-squares fits. Molecular parameters in the first excited level has been calculated. Potential-energy constants have been determined, using the iterative autoconsistency method.