High Resolution Infrared Spectroscopy in Support of Ozone Atmospheric Monitoring and Validation of the Potential Energy Function

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 This project is over due to the theoretical evaluation of the impact of a fleet in the stratosphere and has been replaced by the A380, which is now operating.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.

Lifetimes and decay mechanisms of isotopically substituted ozone above the dissociation threshold: matching quantum and classical dynamics

“…The motivation is to obtain more detailed insight into possible isotopic outcomes of reaction (1) at the first step of ozone formation. The calculations are based on the spectroscopically accurate ab initio PES 50 used to obtain the metastable states above the dissociation threshold D 0 , which currently agrees the best with the observed data for the bound state levels of the ozone isotopologues 57,60,101,102 up to about 95% of D 0 .…”

“…B 1 -states are not allowed, but their J = 0 energy values represent the origins of the 668- and 686 ( v 3 odd)-rovibrational bands, for which states with J > 0 do exist (see Table 2). It is then instructive to compute the corresponding band origins because they are well determined in experimental spectra analyses 102 using interpolations of a series of rotational lines to the J → 0 limit. The character of these states can be understood from Fig.…”

“…As one can see from the figure, the states with energies below the dissociation threshold of O 2 + O, D 0 ≈ 8500 cm −1 are localised in one of the wells, either w 1 ( ϕ = −30°), equivalent to w 2 , or in w 3 ( ϕ = 90°). In traditional analyses of experimental spectra 102 (and references therein), these states with the expectation value around ϕ ≈ 90° are classified using the C 2 v point group, while the states with ϕ ≈ −30° are classified using the C s point group. At energies approaching D 0 , the expectation value departs from one of the two values ϕ = 90° or −30°, indicating that the highly excited bound states and the states above (vibrational continuum states) are delocalised between the three wells.…”

Effects of systemic ozone administration on the fresh extraction sockets healing: a histomorphometric and immunohistochemical study in rats

“…Ozone is a natural compound present in the stratosphere that plays an important role in retaining ultraviolet energy emitted by the sun, thus contributing not only to control the thermal conditions of the stratosphere but also human life. 1 From its discovery in the mid-1840s by the German chemist Christian Friedrich Schönbein 2 and with the advent of the first ozone generator developed by Werner von Siemens in 1857, 3 new horizons have been opened up for its use in both medicine and dentistry. 2,4,5 Medical ozone is a gaseous mixture composed of 95 to 99.95% oxygen and 0.05 to 5% pure ozone, which can be found in gas or liquid forms (water or oil) 2,6 and can be applied topically, infiltratively, or systemically.…”

Ozone Therapy in Medicine and Dentistry: A Review of the Literature

“…It can absorb most of the ultraviolet energy that the sun emits; thus, it is one of the most significant gases in the stratosphere. As a result, ozone in the stratosphere is essential for both the stratosphere’s thermal structure and the ecological system that supports life on the Earth’s surface [ 1 ]. Compared to oxygen, ozone is ten times more soluble in water and 1.6 times denser.…”