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Hyperfine-Resolved Near-Infrared Spectra of H$_{2}$$^{17}$O

Melosso, M.; Diouf, M. L.; Bizzocchi, L.; Harding, M. E. ORCID iD icon 1; Cozijn, F. M. J.; Puzzarini, C.; Ubachs, W.
1 Institut für Nanotechnologie (INT), Karlsruher Institut für Technologie (KIT)


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 H$_{2}$$^{17}$Oin the near-infrared region. Simulation and interpretation of the H$_{2}$$^{17}$Osaturation spectra have been supported by coupled-cluster calculations performed with large basis sets and accounting for high-level corrections. Experimental $^{17}$O hyperfine parameters are found in excellent agreement with the corresponding computed values. The need of including small hyperfine effects in the analysis of H$_{2}$$^{17}$O spectra has been demonstrated together with the ability of the computational strategy employed for providing quantitative predictions of the corresponding parameters.

Verlagsausgabe §
DOI: 10.5445/IR/1000137754
Veröffentlicht am 22.09.2021
DOI: 10.1021/acs.jpca.1c05681
Zitationen: 12
Web of Science
Zitationen: 10
Zitationen: 14
Cover der Publikation
Zugehörige Institution(en) am KIT Institut für Nanotechnologie (INT)
Publikationstyp Zeitschriftenaufsatz
Publikationsjahr 2021
Sprache Englisch
Identifikator ISSN: 1089-5639, 1520-5215
KITopen-ID: 1000137754
HGF-Programm 43.32.01 (POF IV, LK 01) Molecular Materials Basis for Optics & Photonics
Erschienen in Journal of Physical Chemistry A
Verlag American Chemical Society (ACS)
Band 125
Heft 36
Seiten 7884–7890
Nachgewiesen in Dimensions
Web of Science
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