Rotational analysis of the ν1, ν4, ν5 and 2ν6 infrared bands of CF3CN

Abstract

The rotational structure in the parallel bands ν₁, ν₄ and 2ν₆ and in the perpendicular band ν₅ of CF₃CN is fully analysed at a resolution of 0.06 cm^–1. The main features of these four bands have been qualitatively explained and 320 lines have been assigned. The band centres have been found at 2277.552, 521.147, 1249.361 and 1214.395 cm^–1, respectively. The rotational and centrifugal distortion constants in the ground state and first excited level along with the Coriolis constant have also been calculated.