IUPAC critical evaluation of the rotational-vibrational spectra of water vapor, Part III: Energy levels and transition wavenumbers for H216O

Autor: Nikolai F. Zobov, Oleg L. Polyansky, Alexander Fazliev, Olga V. Naumenko, Ann Carine Vandaele, Attila G. Császár, Peter F. Bernath, Lorenzo Lodi, Afaf R. Al Derzi, Alain Campargue, Jonathan Tennyson, Linda R. Brown, Robert R. Gamache, Csaba Fábri, Tibor Furtenbacher, Joseph T. Hodges, Ludovic Daumont, Iouli E. Gordon, Laurence S. Rothman, Irina I. Mizus
Přispěvatelé: Department of Physics and Astronomy [UCL London], University College of London [London] ( UCL ), Jet Propulsion Laboratory ( JPL ), California Institute of Technology ( CALTECH ) -NASA, LIPhy-LAME, Laboratoire Interdisciplinaire de Physique [Saint Martin d’Hères] ( LIPhy ), Université Joseph Fourier - Grenoble 1 ( UJF ) -Centre National de la Recherche Scientifique ( CNRS ) -Université Joseph Fourier - Grenoble 1 ( UJF ) -Centre National de la Recherche Scientifique ( CNRS ), Department of Environmental, Earth, and Atmospheric Sciences [Lowell], University of Massachusetts at Lowell ( UMass Lowell ), Belgian Institute for Space Aeronomy / Institut d'Aéronomie Spatiale de Belgique ( BIRA-IASB ), University College of London [London] (UCL), Jet Propulsion Laboratory (JPL), NASA-California Institute of Technology (CALTECH), LAsers, Molécules et Environnement (LAME-LIPhy), Laboratoire Interdisciplinaire de Physique [Saint Martin d’Hères] (LIPhy), Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF)-Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF), University of Massachusetts [Lowell] (UMass Lowell), University of Massachusetts System (UMASS)-University of Massachusetts System (UMASS), Belgian Institute for Space Aeronomy / Institut d'Aéronomie Spatiale de Belgique (BIRA-IASB)
Jazyk: angličtina
Rok vydání: 2013
Předmět:
Zdroj: Journal of Quantitative Spectroscopy and Radiative Transfer
Journal of Quantitative Spectroscopy and Radiative Transfer, Elsevier, 2013, 117, pp.29-58. 〈10.1016/J.JQSRT.2012.10.002〉
Journal of Quantitative Spectroscopy and Radiative Transfer, Elsevier, 2013, 117, pp.29-58. ⟨10.1016/J.JQSRT.2012.10.002⟩
ISSN: 0022-4073
DOI: 10.1016/J.JQSRT.2012.10.002〉
Popis: International audience; This is the third of a series of articles reporting critically evaluated rotational-vibrational line positions, transition intensities, and energy levels, with associated critically reviewed labels and uncertainties, for all the main isotopologues of water. This paper presents experimental line positions, experimental-quality energy levels, and validated labels for rotational-vibrational transitions of the most abundant isotopologue of water, H216O. The latest version of the MARVEL (Measured Active Rotational-Vibrational Energy Levels) line-inversion procedure is used to determine the rovibrational energy levels of the electronic ground state of H216O from experimentally measured lines, together with their self-consistent uncertainties, for the spectral region up to the first dissociation limit. The spectroscopic network of H216O containstwo components, an ortho (o) and a para (p) one. For o-H216O and p-H216O, experimentally measured, assigned, and labeled transitions were analyzed from more than 100 sources. The measured lines come from one-photon spectra recorded at room temperature in absorption, from hot samples with temperatures up to 3000 K recorded in emission, and from multiresonance excitation spectra which sample levels up to dissociation. The total number of transitions considered is 184 667 of which 182 156 are validated: 68 027 between para states and 114 129 ortho ones. These transitions give rise to 18 486 validated energy levels, of which 10 446 and 8040 belong to o-H216O and p-H216O, respectively. The energy levels, including their labeling with approximate normal-mode and rigid-rotor quantum numbers, have been checked against ones determined from accurate variational nuclear motion computations employing exact kinetic energy operators as well as against previous compilations of energy levels. The extensive list of MARVEL lines and levels obtained are deposited in the supplementary data of this paper, as well as in a distributed information system applied to water, W@DIS, where they can easily be retrieved.
Databáze: OpenAIRE
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