Articles | Volume 20, issue 16
https://doi.org/10.5194/acp-20-10015-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/acp-20-10015-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| Highlight paper
| 
27 Aug 2020
Research article | Highlight paper |
| 27 Aug 2020
| 27 Aug 2020
A semi-empirical potential energy surface and line list for H216O extending into the near-ultraviolet
Eamon K. Conway
CORRESPONDING AUTHOR
Center for Astrophysics, Harvard and Smithsonian, Atomic and Molecular Physics Division, Cambridge, MA 02138, USA
Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, UK
Iouli E. Gordon
Center for Astrophysics, Harvard and Smithsonian, Atomic and Molecular Physics Division, Cambridge, MA 02138, USA
Jonathan Tennyson
Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, UK
Oleg L. Polyansky
Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, UK
Sergei N. Yurchenko
Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, UK
Kelly Chance
Center for Astrophysics, Harvard and Smithsonian, Atomic and Molecular Physics Division, Cambridge, MA 02138, USA
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Cited
19 citations as recorded by crossref.
- Resetting tropospheric OH and CH 4 lifetime with ultraviolet H 2 O absorption M. Prather & L. Zhu 10.1126/science.adn0415
- Determination of quantum labels based on projections of the total angular momentum on the molecule-fixed axis E. Conway et al. 10.1016/j.jqsrt.2021.107716
- Reaction dynamics of P(4S) + O2(X3Σ−g) → O(3P) + PO(X2Π) on a global CHIPR potential energy surface of PO2(X2A1): implications for atmospheric modelling G. Chen et al. 10.5194/acp-23-10643-2023
- High-Temperature Line List of Phosphaethyne (HCP) G. Chen et al. 10.1021/acs.jpca.4c01823
- The inclusion of the MT_CKD water vapor continuum model in the HITRAN molecular spectroscopic database E. Mlawer et al. 10.1016/j.jqsrt.2023.108645
- Absorption in exoplanet atmospheres: Combining experimental and theoretical databases to facilitate calculations of the molecular opacities of water V. Kofman & G. Villanueva 10.1016/j.jqsrt.2021.107708
- MARVEL analysis of high-resolution spectra of ozone (16O3) A. Upadhyay et al. 10.1016/j.jqsrt.2025.109399
- Off axis integrated cavity output spectroscopy of deuterated water isotopologues in 7178–7196 cm−1 spectral region A. Gupta & D. Udupa 10.1016/j.saa.2023.122772
- Selective excitation of heavy water solution under infrared pulse irradiation: A molecular dynamics simulation study Z. Huang et al. 10.1063/5.0245744
- Estimation of H2O Absorption Line Contributions to Atmospheric Transmission in the Ultraviolet Spectral Region A. Chentsov et al. 10.1134/S1024856021060075
- Theoretical description of water from single-molecule to condensed phase: Recent progress on potential energy surfaces and molecular dynamics J. Chen & W. Zhuang 10.1063/1674-0068/cjcp2201005
- The W2024 database of the water isotopologue $${{\rm{H}}}_{2}^{\,16}{\rm{O}}$$ T. Furtenbacher et al. 10.1038/s41597-024-03847-3
- A global line list for HDO between 0 and 35000 cm−1 constructed using multiphoton spectra N. Zobov et al. 10.1016/j.jqsrt.2021.107694
- Temperature-dependence of the near-UV absorption of water vapor in the 290–350nm range Z. Wang et al. 10.1016/j.jqsrt.2022.108204
- The HITRAN2020 molecular spectroscopic database I. Gordon et al. 10.1016/j.jqsrt.2021.107949
- Cavity ring-down spectroscopy of water vapor in the deep-blue region Q. Yang et al. 10.5194/amt-15-4463-2022
- On the Uncertainty of the Calculated Intensities of Water Vapor Lines in the Sub-THz Frequency Range R. Ovsyannikov et al. 10.1134/S1024856023060131
- EXOPLINES: Molecular Absorption Cross-section Database for Brown Dwarf and Giant Exoplanet Atmospheres E. Gharib-Nezhad et al. 10.3847/1538-4365/abf504
- Sub-percent accuracy for the intensity of a near-infrared water line at 10,670 cm−1: experiment and analysis T. Rubin et al. 10.1080/00268976.2022.2063769
19 citations as recorded by crossref.
- Resetting tropospheric OH and CH 4 lifetime with ultraviolet H 2 O absorption M. Prather & L. Zhu 10.1126/science.adn0415
- Determination of quantum labels based on projections of the total angular momentum on the molecule-fixed axis E. Conway et al. 10.1016/j.jqsrt.2021.107716
- Reaction dynamics of P(4S) + O2(X3Σ−g) → O(3P) + PO(X2Π) on a global CHIPR potential energy surface of PO2(X2A1): implications for atmospheric modelling G. Chen et al. 10.5194/acp-23-10643-2023
- High-Temperature Line List of Phosphaethyne (HCP) G. Chen et al. 10.1021/acs.jpca.4c01823
- The inclusion of the MT_CKD water vapor continuum model in the HITRAN molecular spectroscopic database E. Mlawer et al. 10.1016/j.jqsrt.2023.108645
- Absorption in exoplanet atmospheres: Combining experimental and theoretical databases to facilitate calculations of the molecular opacities of water V. Kofman & G. Villanueva 10.1016/j.jqsrt.2021.107708
- MARVEL analysis of high-resolution spectra of ozone (16O3) A. Upadhyay et al. 10.1016/j.jqsrt.2025.109399
- Off axis integrated cavity output spectroscopy of deuterated water isotopologues in 7178–7196 cm−1 spectral region A. Gupta & D. Udupa 10.1016/j.saa.2023.122772
- Selective excitation of heavy water solution under infrared pulse irradiation: A molecular dynamics simulation study Z. Huang et al. 10.1063/5.0245744
- Estimation of H2O Absorption Line Contributions to Atmospheric Transmission in the Ultraviolet Spectral Region A. Chentsov et al. 10.1134/S1024856021060075
- Theoretical description of water from single-molecule to condensed phase: Recent progress on potential energy surfaces and molecular dynamics J. Chen & W. Zhuang 10.1063/1674-0068/cjcp2201005
- The W2024 database of the water isotopologue $${{\rm{H}}}_{2}^{\,16}{\rm{O}}$$ T. Furtenbacher et al. 10.1038/s41597-024-03847-3
- A global line list for HDO between 0 and 35000 cm−1 constructed using multiphoton spectra N. Zobov et al. 10.1016/j.jqsrt.2021.107694
- Temperature-dependence of the near-UV absorption of water vapor in the 290–350nm range Z. Wang et al. 10.1016/j.jqsrt.2022.108204
- The HITRAN2020 molecular spectroscopic database I. Gordon et al. 10.1016/j.jqsrt.2021.107949
- Cavity ring-down spectroscopy of water vapor in the deep-blue region Q. Yang et al. 10.5194/amt-15-4463-2022
- On the Uncertainty of the Calculated Intensities of Water Vapor Lines in the Sub-THz Frequency Range R. Ovsyannikov et al. 10.1134/S1024856023060131
- EXOPLINES: Molecular Absorption Cross-section Database for Brown Dwarf and Giant Exoplanet Atmospheres E. Gharib-Nezhad et al. 10.3847/1538-4365/abf504
- Sub-percent accuracy for the intensity of a near-infrared water line at 10,670 cm−1: experiment and analysis T. Rubin et al. 10.1080/00268976.2022.2063769
Latest update: 02 Apr 2025
Short summary
Water vapour 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 there is a large disagreement for the available models and experiments. We created a new ab initio model that is in good agreement with observation at 363 nm. At lower wavelengths, our calculations suggest that the latest experiments overestimate absorption. This has implications for trace gas retrievals in the near-UV.
Water vapour has a complex spectrum and absorbs from the microwave to the near-UV where it...
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