Title: The W2024 Database of the Water Isotopologue H216O
Authors: T. Furtenbacher, R. Tóbiás, J. Tennyson, R. R. Gamache, and A. G. Császár
DOI: https://doi.org/10.1038/s41597-024-03847-3
Date: 09/28/2024
Worhttp://
Grant Period: 2nd
Grant Period Goal (number): 7
Covered deliverables from the MoU (number): 7.3.1
Countries involved: Hungary, United Kingdom, United States
Number of female/young/ITC coauthors: 0/0/2
Abstract: The rovibrational spectrum of the water molecule is the crown jewel of high-resolution molecular spectroscopy. While its signifcance in numerous scientifc and engineering applications and the challenges behind its interpretation have been well known, the extensive experimental analysis performed for this molecule, from the microwave to the ultraviolet, is admirable. To determine empirical energy levels for H2O-16 , this study utilizes an improved version of the MARVEL (Measured Active Rotational-Vibrational Energy Levels) scheme, which now takes into account multiplet constraints and frst-principles energy-level splittings. This analysis delivers 19027 empirical energy values, with individual uncertainties and confdence intervals, utilizing 309 290 transition wavenumbers collected from 189 (mostly experimental) data sources. Relying on these empirical, as well as some computed, energies and frst-principles intensities, an extensive composite line list, named CW2024, has been assembled. The CW2024 dataset is compared to lines in the canonical HITRAN 2020 spectroscopic database, providing guidance for future experimental investigations.







