ExoMol

Part of EU Open Research Repository
Published April 1, 2018 | Version 20180401
Dataset Open

The OYKYT dataset for 12C1H319F

Authors/Creators

  • 1. University College London
  • 2. SRON Netherlands Institute for Space Research
  • 3. Max Planck Institute for Astronomy

Description

The dataset is an archive of ExoMol page, https://exomol.com/data/molecules/CH3F/12C-1H3-19F/OYKYT.
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 CH3F_12C1H319F_OYKYT.md for detailed information.

Definitions file

12C-1H3-19F__OYKYT.def[9.14 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/CH3F/12C-1H3-19F/OYKYT/

OYKYT: line list

The OYKYT calculated high-temperature water line list of CH3F

12C-1H3-19F__OYKYT__00000-00100.trans.bz2[30.5 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 00000-00100 cm-1

12C-1H3-19F__OYKYT__00100-00200.trans.bz2[33.2 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 00100-00200 cm-1

12C-1H3-19F__OYKYT__00200-00300.trans.bz2[34.88 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 00200-00300 cm-1

12C-1H3-19F__OYKYT__00300-00400.trans.bz2[36.85 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 00300-00400 cm-1

12C-1H3-19F__OYKYT__00400-00500.trans.bz2[39.21 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 00400-00500 cm-1

12C-1H3-19F__OYKYT__00500-00600.trans.bz2[42.27 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 00500-00600 cm-1

12C-1H3-19F__OYKYT__00600-00700.trans.bz2[45.9 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 00600-00700 cm-1

12C-1H3-19F__OYKYT__00700-00800.trans.bz2[52.09 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 00700-00800 cm-1

12C-1H3-19F__OYKYT__00800-00900.trans.bz2[60.05 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 00800-00900 cm-1

12C-1H3-19F__OYKYT__00900-01000.trans.bz2[70.18 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 00900-01000 cm-1

12C-1H3-19F__OYKYT__01000-01100.trans.bz2[82.33 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 01000-01100 cm-1

12C-1H3-19F__OYKYT__01100-01200.trans.bz2[87.8 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 01100-01200 cm-1

12C-1H3-19F__OYKYT__01200-01300.trans.bz2[94.17 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 01200-01300 cm-1

12C-1H3-19F__OYKYT__01300-01400.trans.bz2[103.0 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 01300-01400 cm-1

12C-1H3-19F__OYKYT__01400-01500.trans.bz2[112.57 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 01400-01500 cm-1

12C-1H3-19F__OYKYT__01500-01600.trans.bz2[118.23 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 01500-01600 cm-1

12C-1H3-19F__OYKYT__01600-01700.trans.bz2[121.32 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 01600-01700 cm-1

12C-1H3-19F__OYKYT__01700-01800.trans.bz2[126.59 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 01700-01800 cm-1

12C-1H3-19F__OYKYT__01800-01900.trans.bz2[134.9 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 01800-01900 cm-1

12C-1H3-19F__OYKYT__01900-02000.trans.bz2[144.93 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 01900-02000 cm-1

12C-1H3-19F__OYKYT__02000-02100.trans.bz2[158.81 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 02000-02100 cm-1

12C-1H3-19F__OYKYT__02300-02400.trans.bz2[193.42 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 02300-02400 cm-1

12C-1H3-19F__OYKYT__02400-02500.trans.bz2[214.67 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 02400-02500 cm-1

12C-1H3-19F__OYKYT__02500-02600.trans.bz2[244.0 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 02500-02600 cm-1

12C-1H3-19F__OYKYT__02600-02700.trans.bz2[268.96 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 02600-02700 cm-1

12C-1H3-19F__OYKYT__02700-02800.trans.bz2[296.23 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 02700-02800 cm-1

12C-1H3-19F__OYKYT__02800-02900.trans.bz2[332.49 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 02800-02900 cm-1

12C-1H3-19F__OYKYT__02900-03000.trans.bz2[356.96 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 02900-03000 cm-1

12C-1H3-19F__OYKYT__03000-03100.trans.bz2[365.46 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 03000-03100 cm-1

12C-1H3-19F__OYKYT__03100-03200.trans.bz2[369.35 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 03100-03200 cm-1

12C-1H3-19F__OYKYT__03200-03300.trans.bz2[373.11 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 03200-03300 cm-1

12C-1H3-19F__OYKYT__03300-03400.trans.bz2[390.55 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 03300-03400 cm-1

12C-1H3-19F__OYKYT__03400-03500.trans.bz2[422.14 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 03400-03500 cm-1

12C-1H3-19F__OYKYT__03500-03600.trans.bz2[451.48 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 03500-03600 cm-1

12C-1H3-19F__OYKYT__03600-03700.trans.bz2[490.12 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 03600-03700 cm-1

12C-1H3-19F__OYKYT__03700-03800.trans.bz2[542.08 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 03700-03800 cm-1

12C-1H3-19F__OYKYT__03800-03900.trans.bz2[599.13 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 03800-03900 cm-1

12C-1H3-19F__OYKYT__03900-04000.trans.bz2[654.83 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 03900-04000 cm-1

12C-1H3-19F__OYKYT__04000-04100.trans.bz2[706.59 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 04000-04100 cm-1

12C-1H3-19F__OYKYT__04100-04200.trans.bz2[753.79 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 04100-04200 cm-1

12C-1H3-19F__OYKYT__04200-04300.trans.bz2[801.3 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 04200-04300 cm-1

12C-1H3-19F__OYKYT__04300-04400.trans.bz2[855.69 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 04300-04400 cm-1

12C-1H3-19F__OYKYT__04600-04700.trans.bz2[704 bytes]
OYKYT (12C)(1H)3(19F) line list transitions: 04600-04700 cm-1

12C-1H3-19F__OYKYT__04400-04500.trans.bz2[896.88 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 04400-04500 cm-1

12C-1H3-19F__OYKYT__04500-04600.trans.bz2[924.18 MB]
OYKYT (12C)(1H)3(19F) line list transitions: 04500-04600 cm-1

12C-1H3-19F__OYKYT.states.bz2[42.02 MB]
OYKYT (12C)(1H)3(19F) states

12C-1H3-19F__OYKYT__04600-04700.trans.bz2[704 bytes]
OYKYT (12C)(1H)3(19F) line list transitions: 04600-04700 cm-1

References:
1. Owens, A., Yachmenev, A., Küpper, J., Yurchenko, S. N., Thiel, W., "The rotation-vibration spectrum of methyl fluoride from first principles", Physical Chemistry Chemical Physics 21, 3496-3505 (2019). [https://doi.org/10.1039/C8CP01721B][19OwYaKu.CH3F]

OYKYT: partition function

The OYKYT calculated high-temperature water line list of CH3F

12C-1H3-19F__OYKYT.pf[12.7 KB]
partition function of (12C)(1H)3(19F) computed for OYKYT

References:
1. Owens, A., Yachmenev, A., Küpper, J., Yurchenko, S. N., Thiel, W., "The rotation-vibration spectrum of methyl fluoride from first principles", Physical Chemistry Chemical Physics 21, 3496-3505 (2019). [https://doi.org/10.1039/C8CP01721B][19OwYaKu.CH3F]

OYKYT: opacity

The OYKYT calculated high-temperature water line list of CH3F

12C-1H3-19F__OYKYT.R1000_0.3-50mu.ktable.ARCiS.fits.gz[271.88 MB]
ARCiS k-tables at R= 1000 (0.3-50mu) in fits format (gzipped): OYKYT (12C)(1H)3(19F) line list.

12C-1H3-19F__OYKYT.R1000_0.3-50mu.ktable.petitRADTRANS.h5[370.98 MB]
petitRADTRANS k-tables at R= 1000 (0.3-50mu) in HDF5 format: OYKYT (12C)(1H)3(19F) line list.

12C-1H3-19F__OYKYT.R1000_0.3-50mu.ktable.NEMESIS.kta[232.01 MB]
NEMESIS k-tables at R= 1000 (0.3-50mu) in NEMESIS-kta format: OYKYT (12C)(1H)3(19F) line list.

12C-1H3-19F__OYKYT.R15000_0.3-50mu.xsec.TauREx.h5[348.39 MB]
TauREx k-tables at R= 15000 (0.3-50mu) in HDF5 format: OYKYT (12C)(1H)3(19F) line list.

References:
1. Owens, A., Yachmenev, A., Küpper, J., Yurchenko, S. N., Thiel, W., "The rotation-vibration spectrum of methyl fluoride from first principles", Physical Chemistry Chemical Physics 21, 3496-3505 (2019). [https://doi.org/10.1039/C8CP01721B][19OwYaKu.CH3F]
2. Chubb, K. L., Rocchetto, M., Yurchenko, S. N., Min, M., Waldmann, I., Barstow, J. K., Molliere, P., Al-Refaie, A. F, Phillips, M. W., Tennyson, J., "The ExoMolOP database: Cross sections and k-tables for molecules of interest in high-temperature exoplanet atmospheres", Astronomy and Astrophysics 646, A21 (2020). [http://dx.doi.org/10.1051/0004-6361/202038350][20ChRoYu.]

Files

CH3F_12C1H319F_OYKYT.md

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Additional details

Funding

European Commission
ExoplANETS A - Exoplanet Athmosphere New Emission Transmission Spectra Analysis 776403
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., Yachmenev, A., Küpper, J., Yurchenko, S. N., Thiel, W., "The rotation-vibration spectrum of methyl fluoride from first principles", Physical Chemistry Chemical Physics 21, 3496-3505 (2019). [https://doi.org/10.1039/C8CP01721B][19OwYaKu.CH3F]
  • Chubb, K. L., Rocchetto, M., Yurchenko, S. N., Min, M., Waldmann, I., Barstow, J. K., Molliere, P., Al-Refaie, A. F, Phillips, M. W., Tennyson, J., "The ExoMolOP database: Cross sections and k-tables for molecules of interest in high-temperature exoplanet atmospheres", Astronomy and Astrophysics 646, A21 (2020). [http://dx.doi.org/10.1051/0004-6361/202038350][20ChRoYu.]