Abstract
The first part of this review is a brief reminder of general information concerning atmospheric ozone, particularly related to its formation, destruction, observations of its decrease in the stratosphere, and its increase in the troposphere as a result of anthropogenic actions and solutions. A few words are said about the abandonment of the Airbus project Alliance, which was expected to be the substitute of the supersonic Concorde. This project is over due to the theoretical evaluation of the impact of a fleet in the stratosphere and has been replaced by the A380, which is now operating. The largest part is devoted to calculations and observations of the transitions in the infrared range and their applications for the atmosphere based both on effective models (Hamiltonian, symmetry rules, and dipole moments) and ab initio calculations. The complementarities of the two approaches are clearly demonstrated, particularly for the creation of an exhaustive line list consisting of more than 300,000 lines reaching experimental accuracies (from 0.00004 to 0.001 cm−1) for positions and a sub percent for the intensities in the 10 microns region. This contributes to definitively resolving the issue of the observed discrepancies between line intensity data in different spectral regions: between the infrared and ultraviolet ranges, on the one hand, and between 10 and 5 microns on the other hand. The following section is devoted to the application of recent work to improve the knowledge about the behavior of potential function at high energies. A controversial issue related to the shape of the potential function in the transition state range near the dissociation is discussed.
Highlights
The ozone (O3) molecule is one of the well-known molecules, due to the “ozone hole” discovered in the 1970s in Antarctica, which undoubtedly proved anthropogenic impact on the ozone layer [1,2]
One of the first Fourier transform spectroscopy (FTS) absorption spectra of ozone was recorded using a spectrometer at the Kitt Peak laboratory in the years 1985–1988
The final results of all the analyses described are empirical values of VR energy levels, fitted parameters of effective Hamiltonians and of effective transition moment operators and, complete line lists computed from these parameters
Summary
The ozone (O3) molecule is one of the well-known molecules, due to the “ozone hole” discovered in the 1970s in Antarctica, which undoubtedly proved anthropogenic impact on the ozone layer [1,2]. Ozone is a very interesting molecule in other aspects, such as the observation of anomalous isotopic enrichment [11,12,13,14,15,16], or the fact that this molecule, having three identical atoms, was experimentally identified as an asymmetric top having three different rotational constants in the electronic ground state This explains a very large number of devoted studies. Three of these direct applications are highlighted: the problem of agreement with an accuracy of 1% between spectroscopic data using suitable line lists in the infrared range has been solved [17,18,19,20,21,22,23,24]; the proof of the absence of a submerged barrier in the transition state range of the potential energy surface, having an impact on the modeling of isotopic exchange reactions in the O + OO collisions [25,26,27,28,29,30,31], which in turn could contribute to the anomalous isotope effect in ozone formation [11,12,13,14,15,16]; and a possible impact of the interactions among potential wells [32] on high energy ro-vibration levels [33]
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