Hyperfine-Resolved Near-Infrared Spectra of H217O

Mattia Melosso*, Meissa L. Diouf, Luca Bizzocchi, Michael E. Harding, Frank M.J. Cozijn, Cristina Puzzarini, Wim Ubachs

*Corresponding author for this work

Research output: Contribution to JournalArticleAcademicpeer-review

Abstract

Huge efforts have recently been taken in the derivation of accurate compilations of rovibrational energies of water, one of the most important reference systems in spectroscopy. Such precision is desirable for all water isotopologues, although their investigation is challenged by hyperfine effects in their spectra. Frequency-comb locked noise-immune cavity-enhanced optical-heterodyne molecular spectroscopy (NICE-OHMS) allows for achieving high sensitivity, resolution, and accuracy. This technique has been employed to resolve the subtle hyperfine splittings of rovibrational transitions of H217O in the near-infrared region. Simulation and interpretation of the H217O saturation spectra have been supported by coupled-cluster calculations performed with large basis sets and accounting for high-level corrections. Experimental17O hyperfine parameters are found in excellent agreement with the corresponding computed values. The need of including small hyperfine effects in the analysis of H217O spectra has been demonstrated together with the ability of the computational strategy employed for providing quantitative predictions of the corresponding parameters.

Original languageEnglish
Pages (from-to)7884-7890
Number of pages7
JournalJournal of Physical Chemistry A
Volume125
Issue number36
Early online date2 Sept 2021
DOIs
Publication statusPublished - 16 Sept 2021

Bibliographical note

Funding Information:
The authors thank A. Császár and R. Tóbiás (Eötvös Loránd Universit, Budapest) for helpful discussions and Ningjing Jiang (University of Bologna) for the wonderful TOC figure provided. This research received funding from LASERLAB-EUROPE (Grant no. 654148, European Union’s Horizon 2020 research and innovation program, Project LLAMS002654). Further support was obtained from an NWO-FOM program (16MYSTP) and from the NWO Dutch Astrochemistry Network. L.B. acknowledges support by the Italian Space Agency (ASI; “Life in Space” project, N. 2019-3-U.0). This research was also supported by the German BMBF through the Helmholtz Association via the PoF program Materials Systems Engineering (MSE). a

Publisher Copyright:
© 2021 The Authors. Published by American Chemical Society

Copyright:
Copyright 2021 Elsevier B.V., All rights reserved.

Funding

The authors thank A. Császár and R. Tóbiás (Eötvös Loránd Universit, Budapest) for helpful discussions and Ningjing Jiang (University of Bologna) for the wonderful TOC figure provided. This research received funding from LASERLAB-EUROPE (Grant no. 654148, European Union’s Horizon 2020 research and innovation program, Project LLAMS002654). Further support was obtained from an NWO-FOM program (16MYSTP) and from the NWO Dutch Astrochemistry Network. L.B. acknowledges support by the Italian Space Agency (ASI; “Life in Space” project, N. 2019-3-U.0). This research was also supported by the German BMBF through the Helmholtz Association via the PoF program Materials Systems Engineering (MSE). a

FundersFunder number
Horizon 2020 Framework Programme670168, 654148, LLAMS002654
Bundesministerium für Bildung und Forschung
Agenzia Spaziale Italiana2019-3-U.0
Helmholtz Association

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