MARVEL Analysis of High‐Resolution Rovibrational Spectra of <sup>16</sup>O<sup>13</sup>C<sup>18</sup>O
A large set of validated experimental transitions and empirical rovibrational energy levels are reported for the fifth most abundant carbon dioxide isotopologue, <sup>16</sup>O<sup>13</sup>C<sup>18</sup>O (in a shorthand notation, 638). Validation of the transitions and determination of the empirical energy levels are based on a compiled and carefully checked dataset, collected from 35 literature sources, containing 12 348/7432 measured/unique lines in the wavenumber range of 578-9318 cm<sup>-1</sup>. The MARVEL (Measured Active Rotational-Vibrational Energy Levels) protocol, built upon the theory of spectroscopic networks, not only validates the vast majority of the measured transitions, but also yields 3975 empirical rovibrational energy levels, with uncertainty estimates compliant with the experimental uncertainties of the transitions.
Authors
- Sergei N. Yurchenko (ORCID: https://orcid.org/0000-0001-9286-9501)
- Jonathan Tennyson (ORCID: https://orcid.org/0000-0002-4994-5238)
- Tibor Furtenbacher (ORCID: https://orcid.org/0000-0002-3742-0389)
- Ala’a Azzam (ORCID: https://orcid.org/0000-0003-2234-355X)
- Attila G. Császár (ORCID: https://orcid.org/0000-0001-5640-191X)
Institutions
- Eötvös Loránd University (HU)
- University of Jordan (JO)
- University College London (GB)
Publication Details
- Journal
- Journal of Computational Chemistry
- Published
- 2024-12-19
- DOI
- https://doi.org/10.1002/jcc.27541
- Citations
- 4
- Primary Topic
- Spectroscopy and Laser Applications
- Type
- article
- Field-Weighted Citation Impact
- 0.96
Funders
- European Commission
- European Cooperation in Science and Technology
- Nemzeti Kutatási Fejlesztési és Innovációs Hivatal
- Science and Technology Facilities Council
- European Research Council
- National Research, Development and Innovation Office