Journal cover Journal topic
Atmospheric Chemistry and Physics An interactive open-access journal of the European Geosciences Union
Journal topic

Journal metrics

Journal metrics

  • IF value: 5.668 IF 5.668
  • IF 5-year value: 6.201 IF 5-year
    6.201
  • CiteScore value: 6.13 CiteScore
    6.13
  • SNIP value: 1.633 SNIP 1.633
  • IPP value: 5.91 IPP 5.91
  • SJR value: 2.938 SJR 2.938
  • Scimago H <br class='hide-on-tablet hide-on-mobile'>index value: 174 Scimago H
    index 174
  • h5-index value: 87 h5-index 87
Preprints
https://doi.org/10.5194/acp-2020-286
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/acp-2020-286
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.

Submitted as: research article 09 Apr 2020

Submitted as: research article | 09 Apr 2020

Review status
This preprint is currently under review for the journal ACP.

A semi-empirical potential energy surface and line list for H216O extending into the near-ultraviolet

Eamon K. Conway1,2, Iouli E. Gordon1, Jonathan Tennyson2, Oleg L. Polyansky2, Sergei N. Yurchenko2, and Kelly Chance1 Eamon K. Conway et al.
  • 1Center for Astrophysics|Harvard and Smithsonian, Atomic and Molecular Physics Division, Cambridge, MA, 02138, USA
  • 2Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, UK

Abstract. Accurate reference spectroscopic information for the water molecule from the microwave to the near-ultraviolet is of paramount importance in atmospheric research. A semi-empirical potential energy surface for the ground electronic state of H216O has been created by refining to almost 4 000 experimentally determined energy levels. These states extend into regions with large values of rotational and vibrational excitation. For all states considered in our refinement procedure, which extend to 37 000 wavenumber and J = 20, the average root mean squared deviation is approximately 0.05 wavenumber. This potential energy surface offers significant improvements when compared to recent models by accurately predicting states possessing high values of J. This feature will offer significant improvements in calculated line positions for high temperature spectra where transitions between high J states become more prominent.

Combining this potential with the latest dipole moment surface for water vapor, a line list has been calculated which extends reliably to 37 000 wavenumber. Obtaining reliable results in the ultraviolet is of special importance as it is a challenging spectral region for the water molecule both experimentally and theoretically. Comparisons are made against several experimental sources of cross sections in the near-ultraviolet and discrepancies are observed. In the near-ultraviolet our calculations are in agreement with recent atmospheric retrievals and the upper limit obtained using broad band spectroscopy by Wilson et al. (J. Quant. Spectrosc. Radiat. Transf., 2016, 170, 194) but do not support recent suggestions of very strong absorption in this region.

Eamon K. Conway et al.

Interactive discussion

Status: open (until 04 Jun 2020)
Status: open (until 04 Jun 2020)
AC: Author comment | RC: Referee comment | SC: Short comment | EC: Editor comment
[Subscribe to comment alert] Printer-friendly Version - Printer-friendly version Supplement - Supplement

Eamon K. Conway et al.

Eamon K. Conway et al.

Viewed

Total article views: 197 (including HTML, PDF, and XML)
HTML PDF XML Total Supplement BibTeX EndNote
153 42 2 197 17 1 0
  • HTML: 153
  • PDF: 42
  • XML: 2
  • Total: 197
  • Supplement: 17
  • BibTeX: 1
  • EndNote: 0
Views and downloads (calculated since 09 Apr 2020)
Cumulative views and downloads (calculated since 09 Apr 2020)

Viewed (geographical distribution)

Total article views: 160 (including HTML, PDF, and XML) Thereof 160 with geography defined and 0 with unknown origin.
Country # Views %
  • 1
1
 
 
 
 

Cited

Saved

No saved metrics found.

Discussed

No discussed metrics found.
Latest update: 26 May 2020
Publications Copernicus
Download
Short summary
Water vapor has a complex spectrum and absorbs from the microwave to the near UV where it dissociates. There is limited knowledge of the absorption features in the near UV and, of the available models and experiments, there is a large disagreement. We create a new ab initio model that is in good agreement with observation at 363 nm. At lower wavelengths, our calculations suggest the latest experiments over estimate absorption. This has implications on trace gas retrievals in the near UV.
Water vapor has a complex spectrum and absorbs from the microwave to the near UV where it...
Citation