4.5 Article

Analysis of thirteen absorption bands of 16O18O18O ozone isotopomer in the 950-3500 cm-1 infrared spectral range

Publisher

PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.jqsrt.2020.107364

Keywords

Ozone; Isotopic species; C-S symmetry; Resonance coupling; Effective Hamiltonian model; Ab initio band centres; Rotational constants; Line lists

Funding

  1. Russian Science Foundation [RNF-19-12-00171]
  2. International Research Project SAMIA (CNRS, France)
  3. Russian Science Foundation [19-12-00171] Funding Source: Russian Science Foundation

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Thirteen bands of the CS symmetry (OOO)-O-16-O-18-O-18 ozone isotopic species were observed in spectra generated from O-16(2)/O-18(2) mixtures recorded between 950 and 3500 cm(-1). Experimentally and theoretically this work is similar to the one on the (OOO)-O-16-O-16-O-18 isotopologue analysis, recently published [Barbe A, al. J. Quant. Spectrosc. Radiat. Transfer, 2018;218;231-247]. In total 11402 rovibrational transitions (corresponding to 8784 upper state energy levels) were assigned. The line positions are modelled with the root mean squares deviations varying from 0.001 to 0.002 cm(-1). The final comparisons show a good agreement between experimental and theoretical band centres and rotational constants predicted from ab initio potential energy surface. Effective dipole transition moment parameters were either fitted or timated from a comparison between observed and simulated spectra. The line lists built using effective Hamiltonian and transition moment parameters containing 61194 transitions are provided in Supplementary Materials. (C) 2020 Elsevier Ltd. All rights reserved.

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