ChemInform Abstract: Diode Laser Measurements of CF3Cl Near 1258 cm-1: Rovibrational Analysis of ν2 + ν3 Combination and Its Hot Bands.

Abstract

Abstract The gas-phase infrared spectrum of natural CF 3 Cl has been investigated in the range 1244–1275 cm −1 with a resolution of about 0.002 cm −1 using a tunable diode laser spectrometer. The K structure of many P ( J ) and R ( J ) clusters of the ν 2 + ν 3 band has been resolved and analyzed: the maximum J values reached for individual transitions were 66 and 62 for CF 3 35 Cl and CF 3 37 Cl, respectively. Small irregularities found in the K = 15, 18 lines of most manifolds of the main species have been attributed to perturbations with the ν 5 + 2 ν 6 vibration, and different interaction mechanisms have been considered. From a least-squares fit of the assigned transitions, accurate parameters up to the quartic terms have been determined for the ν 2 + ν 3 combination of both the isotopomers. Residual features due to the hot bands ν 2 + 2 ν 3 − ν 3 and ν 2 + ν 3 + ν 6 − ν 6 of CF 3 35 Cl have also been identified and spectroscopic constants have been derived by polynomial and manifold contour simulation methods.