Literature DB >> 35164172

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

Alain Barbe1, Semen Mikhailenko2,3, Evgeniya Starikova2, Vladimir Tyuterev1,2,4.   

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 This project is over due to the theoretical evaluation of the impact of a fleet in the stratosphere and has been replaced by the A380, which is now operating.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

Entities:  

Keywords:  atmospheric applications; infrared high-resolution spectroscopy; line intensities; ozone molecule; potential energy function; spectra of the 18 existing isotopic species

Year:  2022        PMID: 35164172      PMCID: PMC8838290          DOI: 10.3390/molecules27030911

Source DB:  PubMed          Journal:  Molecules        ISSN: 1420-3049            Impact factor:   4.411


  45 in total

1.  Quantum-mechanical calculations on pressure and temperature dependence of three-body recombination reactions: application to ozone formation rates.

Authors:  David Charlo; David C Clary
Journal:  J Chem Phys       Date:  2004-02-08       Impact factor: 3.488

Review 2.  New theoretical investigations of the photodissociation of ozone in the Hartley, Huggins, Chappuis, and Wulf bands.

Authors:  S Yu Grebenshchikov; Z-W Qu; H Zhu; R Schinke
Journal:  Phys Chem Chem Phys       Date:  2007-03-15       Impact factor: 3.676

3.  Astronomical Fourier spectrometer.

Authors:  P Connes; G Michel
Journal:  Appl Opt       Date:  1975-09-01       Impact factor: 1.980

4.  Infrared Spectrum of Ozone in the 4600 and 5300 cm-1 Regions: High Order Accidental Resonances through the Analysis of nu1 + 2nu2 + 3nu3 - nu2, nu1 + 2nu2 + 3nu3, and 4nu1 + nu3 Bands

Authors: 
Journal:  J Mol Spectrosc       Date:  1997-10       Impact factor: 1.507

5.  Ab initio predictions and laboratory validation for consistent ozone intensities in the MW, 10 and 5 μm ranges.

Authors:  Vl G Tyuterev; A Barbe; D Jacquemart; C Janssen; S N Mikhailenko; E N Starikova
Journal:  J Chem Phys       Date:  2019-05-14       Impact factor: 3.488

6.  Cavity ring down spectroscopy with 5 × 10(-13) cm-1 sensitivity.

Authors:  Samir Kassi; Alain Campargue
Journal:  J Chem Phys       Date:  2012-12-21       Impact factor: 3.488

7.  The role of the radical-complex mechanism in the ozone recombination/dissociation reaction.

Authors:  Klaus Luther; Kawon Oum; Jürgen Troe
Journal:  Phys Chem Chem Phys       Date:  2005-06-10       Impact factor: 3.676

8.  Comment on "Calculated vibrational states of ozone up to dissociation" [J. Chem. Phys. 144, 074302 (2016)].

Authors:  János Sarka; Bill Poirier
Journal:  J Chem Phys       Date:  2020-05-07       Impact factor: 3.488

9.  Dynamical studies of the ozone isotope effect: A status report.

Authors:  R Schinke; S Yu Grebenshchikov; M V Ivanov; P Fleurat-Lessard
Journal:  Annu Rev Phys Chem       Date:  2006       Impact factor: 12.703

10.  Theoretical Treatment of the Coriolis Effect Using Hyperspherical Coordinates, with Application to the Ro-Vibrational Spectrum of Ozone.

Authors:  Igor Gayday; Alexander Teplukhin; Brian K Kendrick; Dmitri Babikov
Journal:  J Phys Chem A       Date:  2020-03-31       Impact factor: 2.781

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