Contribution to the analysis of the predissociated rovibronic structure of the symmetric isotopomers 16O3 and 18O3 of ozone near 10,400 cm-1): [3A2(3(2)(0)) <-- X1A1(0(0)(0))] and 3B2 <-- X1A1

Spectrochim Acta A Mol Biomol Spectrosc. 2004 Mar;60(4):889-98. doi: 10.1016/S1386-1425(03)00316-0.

Abstract

The absorption spectrum of ozone was recorded at low temperatures (down to -135 degrees C) by high resolution Fourier transform spectrometry and intra cavity laser absorption spectroscopy (ICLAS) near 10,400 cm-1. A preliminary analysis of the rotational structure of the absorption spectra of 16O3 and 18O3 shows that this spectral region corresponds to a superposition of two different electronic transitions, one with a very broad rotational structure, showing for the first time the asymmetric stretching frequency mode nu3 of the electronic state 3A2, the other formed by a completely diffuse band, probably the 2(1)(0) band of a new transition due to the triplet electronic state 3B2. Predissociation effects induce large broadening of the rotational lines for the transition centered at 10,473 cm-1 identified as the 3(2)(0) band of the 3A2 <-- X1A1 electronic transition. The rotational structure cannot be analyzed directly but instead the band contour method was used to confirm the symmetry of the transition and to estimate the spectroscopic constants for the 16O isotopomer. The origin of the band is at 10,473 +/- 3 cm-1 and the value of the 16O3(3A2) antisymmetric stretching frequency mode is equal to 460 +/- 2 cm-1. We believe that the diffuse band is due to the 3B2 state and is located at about 10,363 +/- 3 cm-1 for 16O3 and 10,354 +/- 3 cm-1 for 18O3. The isotopic rules confirm the different results obtained for 18O3 and 16O3.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Chemistry, Physical / methods
  • Electrons
  • Models, Chemical
  • Oxygen Isotopes / analysis*
  • Ozone*
  • Spectrophotometry
  • Spectroscopy, Fourier Transform Infrared / methods*
  • Temperature

Substances

  • Oxygen Isotopes
  • Ozone