Detection and assignment of ozone bands near 95% of the dissociation threshold: Ultrasensitive experiments for probing potential energy function and vibrational dynamics

Vasilchenko, S.; Barbe, A.; Starikova, E.; Kassi, S.; Mondelain, D.; Campargue, A.; Tyuterev, Vladimir G.

doi:10.1103/physreva.102.052804

Cited by 28 publications

(38 citation statements)

References 101 publications

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“…A recent work by Vasilchenko et al [ 33 ], reporting the analysis of the 6ν 1 + ν 2 + ν 3 of 16 O 3 with a good agreement between observations and predictions (see Figure 19 ) confirmed this conclusion (the advantage of PES without reef) by extending the observations to the energy of 8277 cm −1 for the highest vibration–rotation level (611) 25 322 assigned via the observed transition, which is about 96.7% of the dissociation threshold.…”

Section: Recent Resultsmentioning

confidence: 99%

“…The sensitivity of the CRDS setup is two orders of magnitude higher than those of FTS. The minimum detectable intensities are on the order of 10 −30 cm −1 /molecule [ 33 ], which is due to the fact that equivalent optical path ( p × l ) corresponds to hundreds of thousands of kilometers on Torr. Such a path length is absolutely impossible to achieve with a White cell.…”

Section: Spectroscopy In the Infraredmentioning

confidence: 99%

“…The highest ν 1 + 6ν 2 + 3ν 3 rotationally resolved band at 7968.78 cm −1 observed and assigned in CRDS spectrum [ 33 ] is a particular case, because the calculated band origin was found to be sensitive to the effect of delocalization (Kokoouline et al [ 32 ]) of the vibrational upper state wavefunction among three potential wells. Theoretical prediction, which resulted in an Obs-Calc deviation of −2.9 cm −1 in the one-well model was slightly improved to −2.3 cm −1 when using full-symmetry calculations involving three wells [ 32 ] with the same ab initio PES [ 111 ].…”

Section: Spectroscopy In the Infraredmentioning

confidence: 99%

“…The spectrum studied to date reaches the region of 8000 cm −1 , about 93% of the dissociation threshold D 0 exp = 8560 cm −1 [ 122 , 124 ]. There is a significant decrease in the intensity of the bands above 5800 cm −1 , which once again demonstrates the advantage of recording these spectra by the LiPhy CRDS setup [ 33 ] and of using theoretical predictions for the analyses.…”

Section: Spectroscopy In the Infraredmentioning

confidence: 99%

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

et al. 2022

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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.

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Section: Recent Resultsmentioning

confidence: 99%

Section: Spectroscopy In the Infraredmentioning

confidence: 99%

Section: Spectroscopy In the Infraredmentioning

confidence: 99%

Section: Spectroscopy In the Infraredmentioning

confidence: 99%

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

et al. 2022

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“…Due to the importance of the ozone molecule for atmospheric applications, measurements and calculations of ozone spectra undergo continuous extension and improvement [31][32][33][34] (and references therein). The current GEISA-2020 update corresponds essentially to the S&MPO-2020 version of the "Spectroscopy and Molecular Properties of Ozone" information system [35] jointly developed by Reims and Tomsk groups.…”

Section: O3 (Molecule 3)mentioning

confidence: 99%