Abstract
We report a detailed high resolution rovibrational analysis of the ν1 fundamental absorption band system of CF3I, which appears as a very complex resonance polyad. Pulsed slit jet diode laser spectra (instrumental bandwidth ⩽25 MHz) of CF3I (neat and seeded in He) at rotational temperatures of about 7, 30, and 70 K have been obtained. The low J, K part of the observed transitions can be fitted by a model including the anharmonically coupled levels ν1(ν̃0=1076.0551 cm−1), 2ν50(ν̃0=1079.6732 cm−1) and ν3+3ν6±3(ν̃0=1072.3884 cm−1), and the local Coriolis perturber ν3+3ν6+1(ν̃0=1074.1845 cm−1). The level ν3+3ν6+3 was observed and included for the first time, and an additional anharmonic coupling between the levels ν3+3ν6+3 and ν3+3ν6−3 proved relevant. In order to analyze the higher J, K regions, perturbations arising from 2ν5±2 turned out to be important. In certain regions of the spectra, effects due to nuclear quadrupole interaction are clearly visible. We report new sets of parameters for a low J, K model and for an extended model including the perturber 2ν5±2. The results are discussed in relation to infrared multiphoton excitation of CF3I, infrared absorption in the atmospheric window and intramolecular vibrational redistribution.
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