Empirical rovibrational energy levels for methane

A Marvel (Measured Active Rotational Vibrational Energy Levels) analysis of the available spectroscopic data on methane (12C1H4) is performed. A total of 82173 measured rovibrational transitions were gathered from 96 literature sources and put through the Marvel procedure which led to the determinat...

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Bibliographic Details
Published in:Journal of quantitative spectroscopy & radiative transfer 2024-04, Vol.316, p.108897, Article 108897
Main Authors: Kefala, Kyriaki, Boudon, Vincent, Yurchenko, Sergei N., Tennyson, Jonathan
Format: Article
Language:English
Subjects:
12C1H4
ExoMol
Line list
Marvel
Methane
Rovibrational energy levels
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Summary:A Marvel (Measured Active Rotational Vibrational Energy Levels) analysis of the available spectroscopic data on methane (12C1H4) is performed. A total of 82173 measured rovibrational transitions were gathered from 96 literature sources and put through the Marvel procedure which led to the determination of 23292 empirical energy levels with uncertainties, up to 9900 cm−1 covering the lowest eight polyads. A comparison with Effective Hamiltonian evaluated levels, variational calculations by the TheoReTS project, and the MeCaSDa database is performed. The new levels generated will be used to improve the upcoming ExoMol MM line list. •A thorough analysis of papers containing high resolution spectra of methane is presented.•A total of 82173 measured rovibrational transitions were gathered from 96 papers.•23292 empirical energy levels are determined and compared with available sources of energy levels.
ISSN:0022-4073
1879-1352
DOI:10.1016/j.jqsrt.2024.108897