Critical evaluation of measured rotational–vibrational transitions of four sulphur isotopologues of S16O2

Tóbiás, Roland; Furtenbacher, Tibor; Császár, Attila G.; Naumenko, O. V.; Tennyson, Jonathan; Flaud, J.‐M.; Kumar, Praveen; Poirier, Bill

doi:10.1016/j.jqsrt.2018.01.006

Cited by 42 publications

(14 citation statements)

References 132 publications

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“…Most part of the line positions (63%) have an estimated accuracy between 0.0001 and 0.001 cm -1 in accordance with the uncertainties of the corresponding experimental energy levels reported in [71]. For 185,637 transitions (34%) derived from the calculated energy levels the positions accuracy corresponds to the 0.001 -0.01 cm -1 error range.…”

Section: So2 (Molecule 9)supporting

confidence: 84%

Section: So2 (Molecule 9)mentioning

confidence: 99%

“…The 32 S 16 O2 empirical list is mainly based on the experimental energy levels recently derived in [71] and variational intensities presented in [72]. In addition to experimental energy levels derived in [71], the new experimental energy levels obtained from the analysis of Fourier transform spectra of SO2 by ExoMol [73] were also used. In parallel with pure experimental energy levels, the predicted energy levels obtained from the effective Hamiltonian calculations performed in [71] were used for evaluation of the line positions.…”

Section: So2 (Molecule 9)mentioning

confidence: 99%

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The 2020 edition of the GEISA spectroscopic database

Delahaye

Armante

Scott

et al. 2021

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Section: So2 (Molecule 9)supporting

confidence: 84%

Section: So2 (Molecule 9)mentioning

confidence: 99%

Section: So2 (Molecule 9)mentioning

confidence: 99%

See 1 more Smart Citation

The 2020 edition of the GEISA spectroscopic database

Delahaye

Armante

Scott

et al. 2021

Journal of Molecular Spectroscopy

114

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“…The ExoAmes line list for SO 2 [193] is unchanged since the Ex-oMol2016 release. However, a MARVEL set of energy levels for SO 2 are now available [234] and will be used to update ExoAmes in the near future. Absorption cross sections generated using the ExoMol line list CoYuTe for the spectrum of NH 3 at T = 30 0 K and 20 0 K, with the Doppler profile on a wavenumber grid of 1 cm −1 .…”

Section: So 2 Paper XVIImentioning

confidence: 99%

The 2020 release of the ExoMol database: Molecular line lists for exoplanet and other hot atmospheres

Tennyson

Yurchenko

Al-Refaie

et al. 2020

Journal of Quantitative Spectroscopy and Radiative Transfer

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208

161

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The ExoMol database ( www.exomol.com ) provides molecular data for spectroscopic studies of hot atmospheres. While the data are intended for studies of exoplanets and other astronomical bodies, the dataset is widely applicable. The basic form of the database is extensive line lists; these are supplemented with partition functions, state lifetimes, cooling functions, Landé g-factors, temperature-dependent cross sections, opacities, pressure broadening parameters, k -coefficients and dipoles. This paper presents the latest release of the database which has been expanded to consider 80 molecules and 190 isotopologues totaling over 700 billion transitions. While the spectroscopic data are concentrated at infrared and visible wavelengths, ultraviolet transitions are being increasingly considered in response to requests from observers. The core of the database comes from the ExoMol project which primarily uses theoretical methods, albeit usually fine-tuned to reproduce laboratory spectra, to generate very extensive line lists for studies of hot bodies. The data have recently been supplemented by line lists derived from direct laboratory observations, albeit usually with the use of ab initio transition intensities. A major push in the new release is towards accurate characterisation of transition frequencies for use in high resolution studies of exoplanets and other bodies.

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“…This strongly emphasizes the importance of authors providing their primary experimental data in the form of assigned line lists rather than just supplying compound results such as spectroscopic constants. MARVEL compilations currently exist for AlH (Yurchenko et al 2018a), BeH (Darby-Lewis et al 2018), 12 C 2 (Furtenbacher et al 2016 (Tennyson et al 2009(Tennyson et al , 2010(Tennyson et al , 2013(Tennyson et al , 2014bClark et al 2020), H 2 32 S (Chubb et al 2018b), isotopologues of H 3 + (Furtenbacher et al 2013a,b), isotopologues of SO 2 (Tóbiás et al 2018), C 2 H 2 (Chubb et al 2018a), H 2 CCO (Fábri et al 2011) and NH 3 (Al Derzi et al 2015;Coles et al 2020), with ongoing work on other molecules.…”

Section: Discussionmentioning

confidence: 99%

An update to the MARVEL data set and ExoMol line list for 12C2

McKemmish

Syme

Borsovszky

et al. 2020

Monthly Notices of the Royal Astronomical Society

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The spectrum of dicarbon (C2) is important in astrophysics and for spectroscopic studies of plasmas and flames. The C2 spectrum is characterized by many band systems with new ones still being actively identified; astronomical observations involve eight of these bands. Recently, Furtenbacher et al. (2016, Astrophys. J. Suppl., 224, 44) presented a set of 5699 empirical energy levels for 12C2, distributed among 11 electronic states and 98 vibronic bands, derived from 42 experimental studies and obtained using the Marvel (Measured Active Rotational-Vibrational Energy Levels) procedure. Here, we add data from 13 new sources and update data from 5 sources. Many of these data sources characterize high-lying electronic states, including the newly detected 3 3Πg state. Older studies have been included following improvements in the Marvel procedure which allow their uncertainties to be estimated. These older works in particular determine levels in the C 1Πg state, the upper state of the insufficiently characterized Deslandres–d’Azambuja (C 1Πg–A 1Πu) band. The new compilation considers a total of 31 323 transitions and derives 7047 empirical (Marvel) energy levels spanning 20 electronic and 142 vibronic states. These new empirical energy levels are used here to update the 8states C2 ExoMol line list. This updated line list is highly suitable for high-resolution cross-correlation studies in astronomical spectroscopy of, for example, exoplanets, as 99.4% of the transitions with intensities over 10−18 cm molecule−1 at 1000 K have frequencies determined by empirical energy levels.

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Critical evaluation of measured rotational–vibrational transitions of four sulphur isotopologues of S16O2

Cited by 42 publications

References 132 publications

The 2020 edition of the GEISA spectroscopic database

The 2020 edition of the GEISA spectroscopic database

The 2020 release of the ExoMol database: Molecular line lists for exoplanet and other hot atmospheres

An update to the MARVEL data set and ExoMol line list for 12C2

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