ExoMol

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Published April 1, 2019 | Version 20190401
Dataset Open

The OY-Trans dataset for trans-31P21H2

Authors/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/trans-P2H2/trans-31P2-1H-2H/OY-Trans.
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 trans-P2H2_trans-31P21H2_OY-Trans.md for detailed information.

Definitions file

trans-31P2-1H-2H__OY-Trans.def[7.91 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/trans-P2H2/trans-31P2-1H-2H/OY-Trans/

OY-Trans: line list

Trans ro-vibrational line list for trans-P2H2

trans-31P2-1H2__OY-Trans.states.bz2[60.04 MB]
The States file of the Trans-(31P)2(1H)2 line list.

trans-31P2-1H-2H__OY-Trans__0000-8000.trans.bz2[19.04 GB]
Transitions of the Trans-(31P)2(1H)(2H) line list: 0-8000 cm-1.

References:
1. Owens, A., Yurchenko, S. N., "Theoretical rotation-vibration spectroscopy of cis- and trans-diphosphene (P2H2) and the deuterated species P2HD", Journal of Chemical Physics 150, 194308/1-9 (2019). [https://doi.org/10.1063/1.5092767][19OwYuxx.P2H2]

OY-Trans: partition function

Trans ro-vibrational line list for trans-P2H2

trans-31P2-1H-2H__OY-Trans.pf[7.32 KB]
Partition function produced using the Trans-(31P)2(1H)(2D) line list.

References:
1. Owens, A., Yurchenko, S. N., "Theoretical rotation-vibration spectroscopy of cis- and trans-diphosphene (P2H2) and the deuterated species P2HD", Journal of Chemical Physics 150, 194308/1-9 (2019). [https://doi.org/10.1063/1.5092767][19OwYuxx.P2H2]

Files

trans-P2H2_trans-31P21H2_OY-Trans.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). \[[https://doi.org/10.1016/j.jqsrt.2020.107228](https://doi.org/10.1016/j.jqsrt.2020.107228)\]
  • Owens, A., Yurchenko, S. N., "Theoretical rotation-vibration spectroscopy of cis- and trans-diphosphene (P2H2) and the deuterated species P2HD", Journal of Chemical Physics 150, 194308/1-9 (2019). [https://doi.org/10.1063/1.5092767][19OwYuxx.P2H2]