ExoMol

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Published September 16, 2019 | Version 20190916
Dataset Open

The WCCRMT dataset for 14N2

Creators

  • 1. University College London
  • 2. SRON Netherlands Institute for Space Research

Description

The dataset is an archive of ExoMol page, https://exomol.com/data/molecules/N2/14N2/WCCRMT.
Please check the reference details according to the following description or directly from the website.
NB: The html description skips data which are not included in the current version for the purpose of simplicity. Please check N2_14N2_WCCRMT.md for detailed information.

Definitions file

14N2__WCCRMT.def[7.07 KB]

References:
1. Tennyson, J., Yurchenko, S. N., Al-Refaie, A. F., Clark, V. H. J., Chubb, K. L., Conway, E. K., Dewan, A., Gorman, M. N., Hill, C., Lynas-Gray, A. E., Mellor, T., McKemmish, L. K., Owens, A., Polyansky, O. L., Semenov, M., Somogyi, W., Tinetti, G., Upadhyay, A., Waldmann, I., Wang, Y., Wright, S., Yurchenko, O. P., "The 2020 release of the ExoMol database: molecular line lists for exoplanet and other hot atmospheres", J. Quant. Spectrosc. Rad. Transf., 255, 107228 (2020). [https://doi.org/10.1016/j.jqsrt.2020.107228]

Spectroscopic Model

https://exomol.com/models/N2/14N2/WCCRMT/

WCCRMT: line list

A line list for the triplet system of N2 by Western et al. (2018) generated using PGOPHER

14N2__WCCRMT.states.bz2[492.64 KB]
States of N2 from WCCRMT dataset: triplet system. The energy term values are defined relative the X1Sigma,v=0,J=0 state. The origin of the triplet is 49756.51(23) cm-1 (A3Sigmau+, v=0, F3, J=0, f) estimated using experimental data by D. E. Shemansk, J. Chem. Phys. 51, 689 (1969)

14N2__WCCRMT.trans.bz2[81.42 MB]
Transitions of N2 from WCCRMT dataset

References:
1. Western, C. M., Carter-Blatchford, L., Crozet, P., Ross, A. J., Morville, J., Tokaryk, D. W., "The spectrum of N2 from 4,500 to 15,700 cm−1 revisited with PGOPHER", Journal of Quantitative Spectroscopy and Radiative Transfer 219, 127-141 (2018). [https://doi.org/10.1016/j.jqsrt.2018.07.017][18WeCaCr]
2. Western, C. M., "PGOPHER, A Program for Simulating Rotational, Vibrational and Electronic Spectra", Journal of Quantitative Spectroscopy and Radiative Transfer 186, 221-242 (2016). [http://dx.doi.org/10.1016/j.jqsrt.2016.04.010]
3. Shemansky D. E. Shemansky, "N2 Vegard–Kaplan System in Absorption", The Journal of Chemical Physics 51, 689-700 (1969). [https://doi.org/10.1063/1.1672058]

WCCRMT: partition function

A line list for the triplet system of N2 by Western et al. (2018) generated using PGOPHER

14N2__WCCRMT.pf[219.73 KB]
Partition function of N2 was interpolated using data from Barklem and Collet.

References:
1. Barklem, P. S., Collet, R., "Partition functions and equilibrium constants for diatomic molecules and atoms of astrophysical interest", Astronomy & Astrophysics 588, A96 (2016). [https://doi.org/10.1051/0004-6361/201526961][16BaCoxx.O2]

Files

N2_14N2_WCCRMT.md

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Additional details

Funding

UK Research and Innovation
UCL Astrophysics Consolidated Grant 2018-2021 ST/R000476/1
European Commission
ExoMolHD - ExoMolHD: Precision spectroscopic data for studies of exoplanets and other hot atmospheres 883830
European Commission
EXOMOL - ExoMol: molecular line lists for exoplanet atmospheres 267219

References

  • Tennyson, J., Yurchenko, S. N., Al-Refaie, A. F., Clark, V. H. J., Chubb, K. L., Conway, E. K., Dewan, A., Gorman, M. N., Hill, C., Lynas-Gray, A. E., Mellor, T., McKemmish, L. K., Owens, A., Polyansky, O. L., Semenov, M., Somogyi, W., Tinetti, G., Upadhyay, A., Waldmann, I., Wang, Y., Wright, S., Yurchenko, O. P., "The 2020 release of the ExoMol database: molecular line lists for exoplanet and other hot atmospheres", J. Quant. Spectrosc. Rad. Transf., 255, 107228 (2020). \[[https://doi.org/10.1016/j.jqsrt.2020.107228](https://doi.org/10.1016/j.jqsrt.2020.107228)\]
  • Western, C. M., Carter-Blatchford, L., Crozet, P., Ross, A. J., Morville, J., Tokaryk, D. W., "The spectrum of N2 from 4,500 to 15,700 cm−1 revisited with PGOPHER", Journal of Quantitative Spectroscopy and Radiative Transfer 219, 127-141 (2018). [https://doi.org/10.1016/j.jqsrt.2018.07.017][18WeCaCr]
  • Western, C. M., "PGOPHER, A Program for Simulating Rotational, Vibrational and Electronic Spectra", Journal of Quantitative Spectroscopy and Radiative Transfer 186, 221-242 (2016). [http://dx.doi.org/10.1016/j.jqsrt.2016.04.010]
  • Shemansky D. E. Shemansky, "N2 Vegard–Kaplan System in Absorption", The Journal of Chemical Physics 51, 689-700 (1969). [https://doi.org/10.1063/1.1672058]
  • Barklem, P. S., Collet, R., "Partition functions and equilibrium constants for diatomic molecules and atoms of astrophysical interest", Astronomy & Astrophysics 588, A96 (2016). [https://doi.org/10.1051/0004-6361/201526961][16BaCoxx.O2]