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Empirical rovibrational energy levels for nitrous oxide

Tennyson, Jonathan; Furtenbacher, Tibor; Yurchenko, Sergei N; Császár, Attila G; (2024) Empirical rovibrational energy levels for nitrous oxide. Journal of Quantitative Spectroscopy and Radiative Transfer , 316 , Article 108902. 10.1016/j.jqsrt.2024.108902. Green open access

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Abstract

A survey of the huge number of measured rovibrational transitions of the ¹⁴N₂ ¹⁶O isotopologue of nitrous oxide is performed which either confirms the positions, the assignments, and the uncertainties of the measurements or refutes at least one of them. Data from 95 literature sources are analyzed and their assignments adjusted to a uniform set of polyads and associated counting numbers. This is an important result of the present study and this canonical set of vibrational state assignments is recommended for future studies. The adjusted list of 67 930 transitions (43 246 unique ones) then underwent a thorough Marvel (Measured Active Rotational–Vibrational Energy Levels) analysis, yielding 17 561 empirical rovibrational energy levels. Uncertainties for these levels are determined using a newly implemented bootstrap approach. The bootstrap uncertainties indicate that the uncertainties for about 1.5% of the energy levels had to be increased significantly, often by more than 10 times compared to previous level uncertainty estimates. This study yields empirical values for 78 band origins of ¹⁴N₂ ¹⁶O for states with ℓ = O where ℓ is the vibrational angular momentum quantum number. The measured transitions and the empirical energy levels are compared to the SISAM and the recent NOSL-296 line lists with the result that while the overall agreement is good, there are still a number of issues requiring further careful experimental and modeling studies.

Type: Article
Title: Empirical rovibrational energy levels for nitrous oxide
Open access status: An open access version is available from UCL Discovery
DOI: 10.1016/j.jqsrt.2024.108902
Publisher version: https://doi.org/10.1016/j.jqsrt.2024.108902
Language: English
Additional information: © The Author(s), 2024. This is an Open Access article distributed under the terms of the Creative Commons Attribution Licence (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. https://creativecommons.org/licenses/by/4.0/
Keywords: Rovibrational energy levels, N₂O, MARVEL
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/10186640
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