Voronin, Boris A;
Tennyson, Jonathan;
Chesnokova, Tatyana Yu;
Chentsov, Aleksei V;
Bykov, Aleksandr D;
(2024)
The absorption spectrum of the H₂¹⁴O radioactive isotopologue of water vapour.
Molecular Physics
10.1080/00268976.2024.2333474.
(In press).
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Abstract
The predicted rotation-vibration absorption spectrum of the radioactive isotopically substituted water molecule, H₂¹⁴O, is presented. Variational nuclear-motion calculations are performed using the DVR3D software package based on the use of a high-precision potential energy function and an accurate dipole moment surface. Line centres, intensity and Einstein coefficients are calculated, and air pressure broadening coefficients are estimated. The calculation was carried out over a wide wavenumber range from 0 to 25000 cm⁻¹ and total angular momentum up to J = 20. Isotopologue extrapolation rules based on experimental data on the energy levels of the stable isotopologues H₂¹⁶O, H₂¹⁶O H₂¹⁷O and H₂¹⁸O were also used to improve the predicted line positions. Spectral ranges best suited to the detection of H₂¹⁴O are identified.
| Type: | Article |
|---|---|
| Title: | The absorption spectrum of the H₂¹⁴O radioactive isotopologue of water vapour |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1080/00268976.2024.2333474 |
| Publisher version: | https://doi.org/10.1080/00268976.2024.2333474 |
| Language: | English |
| Additional information: | © 2024 The Author(s). Published by Informa UK Limited, trading as Taylor & Francis Group. This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. The terms on which this article has been published allow the posting of the Accepted Manuscript in a repository by the author(s) or with their consent. |
| Keywords: | H₂¹⁴O; energy levels; water vapour; absorption lines |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10190277 |
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