Line Positions and Intensities of the nu1 + nu2 + 3nu3, nu2 + 4nu3, and 3nu1 + 2nu2 Bands of Ozone

Abstract

Using a Fourier transform spectrometer, we have recorded the spectra of ozone in the region of 4600 cm-1, with a resolution of 0.008 cm-1. The strongest absorption in this region is due to the nu1 + nu2 + 3nu3 band which is in Coriolis interaction with the nu2 + 4nu3 band. We have been able to assign more than 1700 transitions for these two bands. To correctly reproduce the calculation of energy levels, it has been necessary to introduce the (320) state which strongly perturbs the (113) and (014) states through Coriolis- and Fermi-type resonances. Seventy transitions of the 3nu1 + 2nu2 band have also been observed. The final fit on 926 energy levels with Jmax = 50 and Kmax = 16 gives rms = 3.1 x 10(-3) cm-1 and provides a satisfactory agreement of calculated and observed upper levels for most of the transitions. The following values for band centers are derived: nu0(nu1 + nu2 + 3nu3) = 4658.950 cm-1, nu0(3nu1 + 2nu2) = 4643.821 cm-1, and nu0(nu2 + 4nu3) = 4632.888 cm-1. Line intensities have been measured and fitted, leading to the determination of transition moment parameters for the two bands nu1 + nu2 + 3nu3 and nu2 + 4nu3. Using these parameters we have obtained the following estimations for the integrated band intensities, SV(nu1 + nu2 + 3nu3) = 8.84 x 10(-22), SV(nu2 + 4nu3) = 1.70 x 10(-22), and SV(3nu1 + 2nu2) = 0.49 x 10(-22) cm-1/molecule cm-2 at 296 K, which correspond to a cutoff of 10(-26) cm-1/molecule cm-2.