DIODE-LASER MEASUREMENTS OF CF3CL NEAR 1258 CM-1 - ROVIBRATIONAL ANALYSIS OF NU-2+NU-3 COMBINATION AND ITS HOT BANDS

The gas-phase infrared spectrum of natural CF3Cl 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 ν2 + ν3 band has been resolved and analyzed: the maximum J values reached for individual transitions were 66 and 62 for CF335Cl and CF337Cl, respectively. Small irregularities found in the K = 15, 18 lines of most manifolds of the main species have been attributed to perturbations with the ν5 + 2ν6 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 ν2 + ν3 combination of both the isotopomers. Residual features due to the hot bands ν2 + 2ν3 - ν3 and ν2 + ν3 + ν6 - ν6 of CF335Cl have also been identified and spectroscopic constants have been derived by polynomial and manifold contour simulation methods. © 1991.