An improved rovibrational linelist of formaldehyde, H₂¹²C¹⁶O

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An improved rovibrational linelist of formaldehyde, H₂¹²C¹⁶O

Al-Derzi, AR; Tennyson, J; Yurchenko, SN; Melosso, M; Jiang, N; Puzzarini, C; Dore, L; ... Császár, AG; + view all (2021) An improved rovibrational linelist of formaldehyde, H₂¹²C¹⁶O. Journal of Quantitative Spectroscopy and Radiative Transfer , 266 , Article 107563. 10.1016/j.jqsrt.2021.107563. Green open access

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Abstract

Published high-resolution rotation-vibration transitions of H₂¹²C¹⁶O the principal isotopologue of methanal, are analyzed using the MARVEL (Measured Active Rotation-Vibration Energy Levels) procedure. The literature results are augmented by new, high-accuracy measurements of pure rotational transitions within the ground, ν_{3}, ν_{4}, and ν_{6} vibrational states. Of the 16 596 non-redundant transitions processed, which come from 43 sources including the present work, 16 403 could be validated, providing 5029 empirical energy levels of H₂¹²C¹⁶O with statistically well-defined uncertainties. All the empirical rotational-vibrational energy levels determined are used to improve the accuracy of ExoMol’s AYTY line list for hot formaldehyde. The complete list of collated experimental transitions, the empirical energy levels determined, as well as the extended and improved line list are provided as Supplementary Material.

Type:	Article
Title:	An improved rovibrational linelist of formaldehyde, H₂¹²C¹⁶O
Open access status:	An open access version is available from UCL Discovery
DOI:	10.1016/j.jqsrt.2021.107563
Publisher version:	https://doi.org/10.1016/j.jqsrt.2021.107563
Language:	English
Additional information:	This version is the author accepted manuscript. For information on re-use, please refer to the publisher's terms and conditions.
Keywords:	Formaldehyde, Line list, Ro-vibrational energy, MARVEL analysis
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/10125943