Voronin, BA;
Tennyson, J;
Yurchenko, SN;
Chesnokova, TY;
Chentsov, AV;
Bykov, AD;
Makarova, MV;
... Cruz, FC; + view all
(2024)
The infrared absorption spectrum of radioactive water isotopologue H<inf>2</inf><sup>15</sup>O.
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
, 311
, Article 124007. 10.1016/j.saa.2024.124007.
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Abstract
A room temperature line list for the H215O radioactive isotopologue of the water molecule is computed using the variational nuclear-motion DVR3D program suite and an empirical high-precision potential energy function. The line list consists of rotation-vibrational energies and Einstein-A coefficients, covering a wide spectral range from 0 to 25000 cm−1 and the total angular momenta J up to 30. Estimates of air-broadening coefficients are provided. Experimentally derived energies of H216O, H217O and H218O from the literature are used to provide improved energies for important states with uncertainty estimates for the H215O. A number of the wmost promising spectroscopic ranges for the detection of H215O are proposed. The calculated absorption spectrum should be useful for the study gaseous radioactive water at IR region, determining concentration, etc.
| Type: | Article |
|---|---|
| Title: | The infrared absorption spectrum of radioactive water isotopologue H<inf>2</inf><sup>15</sup>O |
| Location: | England |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1016/j.saa.2024.124007 |
| Publisher version: | http://dx.doi.org/10.1016/j.saa.2024.124007 |
| Language: | English |
| Additional information: | This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third-party material in this article are included in the Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ |
| Keywords: | Absorption lines, Energy levels, H(2)(15)O, Line shape parameters, VoTe-15, Water vapor |
| 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/10190360 |
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