Infrared absolute intensities of ozone in the 10 and 5μm spectral range: New investigations

Thomas, Xavier; Heyden, P. Von der; Backer-Barilly, M.-R. De; Bourgeois, M.T.; Barbe, A.

doi:10.1016/j.jqsrt.2010.02.001

Cited by 15 publications

(18 citation statements)

References 17 publications

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“…Results for the 5 µm (101) band line intensities are presented in the Table 4. One can see that as for the strong (001) 10 µm band, that our 5 µm band predicted intensities agree with the observed intensities within the experimental uncertainties [15].…”

Section: Optimization Resultssupporting

confidence: 84%

“…The second important inconsistency, between retrievals based on the 10 µm bands and 5 µm bands 3 intensities, is described by Janssen et al [14]. Based on measurements due to Thomas et al [15], it was shown by Janssen et al that the concentration of ozone determined by a retrieval based on data for the 10 µm band is 2 to 3 % different from that based on the 5 µm band when using spectroscopic data from HITRAN 2012 [16].…”

Section: Introductionmentioning

confidence: 99%

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Potential energy surface, dipole moment surface and the intensity calculations for the 10 µm, 5 µm and 3 µm bands of ozone

Polyansky

Zobov

Mizus

et al. 2018

Journal of Quantitative Spectroscopy and Radiative Transfer

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Monitoring ozone concentrations in the Earth's atmosphere using spectroscopic methods is a major activity which undertaken both from the ground and from space. However there are long-running issues of consistency between measurements made at infrared (IR) and ultraviolet (UV) wavelengths. In addition, key O 3 IR bands at 10 µm, 5 µm and 3 µm also yield results which differ by a few percent when used for retrievals. These problems stem from the underlying laboratory measurements of the line intensities.Here we use quantum chemical techniques, first principles electronic structure and variational nuclear-motion calculations, to address this problem. A new high-accuracy ab initio dipole moment surface (DMS) is computed. Sev-eral spectroscopically-determined potential energy surfaces (PESs) are constructed by fitting to empirical energy levels in the region below 7000 cm −1 starting from an ab initio PES. Nuclear motion calculations using these new surfaces allow the unambiguous determination of the intensities of 10 µm band transitions, and the computation of the intensities of 10 µm and 5 µm bands within their experimental error. A decrease in intensities within the 3 µm is predicted which appears consistent with atmospheric retrievals. The PES and DMS form a suitable starting point both for the computation of comprehensive ozone line lists and for future calculations of electronic transition intensities.

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Section: Optimization Resultssupporting

confidence: 84%

Section: Introductionmentioning

confidence: 99%

Potential energy surface, dipole moment surface and the intensity calculations for the 10 µm, 5 µm and 3 µm bands of ozone

Polyansky

Zobov

Mizus

et al. 2018

Journal of Quantitative Spectroscopy and Radiative Transfer

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“…Only the 011 ← 010 hot band, which contributes about 5 % to the overall absorption We point out that our atmospherically observed offset of +1.4 % between 5 and 10 µm regions when using H12 is in full agreement with a recent laboratory study [27]. The laboratory derived intensities deviate from H12 by (−1.96 ± 0. into account in the analysis [52].…”

Section: Database Comparisonsupporting

confidence: 90%

“…There, however, no inconsistencies in recommended databases have been found, but optical densities in the visible were very weak though (< 4 %). Thomas et al [27] studied recently possible inconsistencies between the 5 and 10 µm regions by absolute measurements in each of these two regions. Their results at 10 µm are compatible with the 2004 or 2008 HITRAN databases and about 2 % lower than the actual databases in the 5 µm region, which, if significant, could even increase the observed discrepancy in the satellite data [23,28].…”

mentioning

confidence: 99%

Line parameter study of ozone at 5 and 10 μm using atmospheric FTIR spectra from the ground: A spectroscopic database and wavelength region comparison

Janssen

Boursier

Jeseck

et al. 2016

Journal of Molecular Spectroscopy

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Atmospheric ozone concentration measurements mostly depend on spectroscopic methods that cover different spectral regions. Despite long years of measurement efforts, the uncertainty goal of 1% in absolute line intensities has not been reached yet. Multispectral inter-comparisons using both laboratory and atmospheric studies reveal that important discrepancies exist when ozone columns are retrieved in different spectral regions. Here, we use ground based FTIR to study the sensitivity of ozone columns on different spectroscopic parameters as a function of individual bands for identifying necessary improvements of the spectroscopic databases. In particular, we examine the degree of consistency that can be reached in ozone retrievals using spectral windows in the 5 and 10 µm bands of ozone. Based on the atmospheric spectra, a detailed database inter-comparison between HITRAN (version 2012), GEISA (version 2011) and S&MPO (as retrieved from the website at the end of 2015) is made. Data from the 10 µm window are consistent to better than 1%, but there are larger differences when the windows at 5 µm are included. The 5 µm results agree with the results from 10 µm within ±2 % for all databases. Recent S&MPO data are even more consistent with the desired level of 1 %, but spectroscopic data from HITRAN give about 4% higher ozone columns than those from GEISA. If four sub-windows in the 5 µm band are checked for

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“…• Barbe et al from GSMA in Reims (France) with an overview of past, current and future laboratory measurements [1][2][3][4]22,23,35].…”

Section: New Laboratory Measurements and Main Results During Acsomentioning

confidence: 99%

Absorption cross-sections of ozone in the ultraviolet and visible spectral regions: Status report 2015

Orphal

Staehelin

Tamminen

et al. 2016

Journal of Molecular Spectroscopy

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HAL is a multidisciplinary open access archive for the deposit and dissemination of scientific research documents, whether they are published or not. The documents may come from teaching and research institutions in France or abroad, or from public or private research centers. L'archive ouverte pluridisciplinaire HAL, est destinée au dépôt et à la diffusion de documents scientifiques de niveau recherche, publiés ou non, émanant des établissements d'enseignement et de recherche français ou étrangers, des laboratoires publics ou privés.

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Infrared absolute intensities of ozone in the 10 and 5μm spectral range: New investigations

Cited by 15 publications

References 17 publications

Potential energy surface, dipole moment surface and the intensity calculations for the 10 µm, 5 µm and 3 µm bands of ozone

Potential energy surface, dipole moment surface and the intensity calculations for the 10 µm, 5 µm and 3 µm bands of ozone

Line parameter study of ozone at 5 and 10 μm using atmospheric FTIR spectra from the ground: A spectroscopic database and wavelength region comparison

Absorption cross-sections of ozone in the ultraviolet and visible spectral regions: Status report 2015

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