High resolution infrared spectrum of 16O3: The 3600–4300 cm−1 range reinvestigated

Abstract

The spectral range from 3600 to 4300 cm−1 of ozone was reinvestigated, leading to a large improvement of the analysis of the strongest ν1+3ν3 band, visible in atmospheric spectra. Recent progress, particularly in the theoretical predictions and observation of the hot band 4ν3-ν3 has allowed identify the strong anharmonic resonance with the dark 3ν1+ν2 band. As the (310) state is also in interaction with the (211), it was necessary to include seven vibration states to correctly reproduce 3389 transitions with the root mean square deviation of 3.54 × 10−3 cm−1 for line positions and 1295 intensities within 8.6%. We report the Effective Hamiltonian parameters and the band transition moments with the corresponding statistics as well as two line lists of the vibration-rotation transitions, and associated figures of the comparisons between observed and calculated spectra. The first line list containing 15,731 transitions is directly obtained from the fitted parameters. In the second one, the calculated line positions were replaced by the observed ones, for the cases where the (νobs - νcalc) differences were larger than the experimental uncertainty. New improved information on the energy levels and transitions can be used to extend the non-LTE models of the atmospheric ozone towards the energy range above 3500 cm−1.