IUPAC critical evaluation of the rotational-vibrational spectra of water vapor. Part I-Energy levels and transition wavenumbers for H2 17O and H2 18O
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Authors
Tennyson, J.
Bernath, P.F.
Brown, l.R.
Campargue, A.
Carleer, M.R.
Császár, A.G.
Gamache, R.R.
Hodges, J.T.
Jenouvrier, A.
Naumenko, O.V.
Polyansky, O.L.
Rothman, L.S.
Toth, R.A.
Vandaele, A.C.
Zobov, N.F.
Daumont, L.
Fazliev, A.Z.
Furtenbacher, T.
Gordon, I.E.
Mikhailenko, S.N.
Shirin, S.V.
Discipline
Earth and related Environmental sciences
Subject
Atmospheric physics
Database
Energy levels
Infrared spectra
MARVEL
Microwave spectra
Transition wavenumbers
Geophysics
Information systems
Infrared spectroscopy
Microwave spectroscopy
Microwaves
Molecular spectroscopy
Organic polymers
Variational techniques
Water vapor
Atmospheric spectra
atomic absorption spectroscopy
molecular analysis
phase transition
spectral analysis
water vapor
Audience
Scientific
Date
2009Metadata
Show full item recordDescription
This is the first part of a series of articles reporting critically evaluated rotational-vibrational line positions, transition intensities, pressure dependence and energy levels, with associated critically reviewed assignments and uncertainties, for all the main isotopologues of water. The present article contains energy levels and data for line positions of the singly substituted isotopologues H2 17O and H2 18O. The procedure and code MARVEL, standing for measured active rotational-vibrational energy levels, is used extensively in all stages of determining the validated levels and lines and their self-consistent uncertainties. The spectral regions covered for both isotopologues H2 17O and H2 18O are 0 - 17 125 cm- 1. The energy levels are checked against ones determined from accurate variational calculations. The number of critically evaluated and recommended levels and lines are, respectively, 2687 and 8614 for H2 17O, and 4839 and 29 364 for H2 18O. The extensive lists of MARVEL lines and levels obtained are deposited in the Supplementary Material, as well as in a distributed information system applied to water, W@DIS, where they can easily be retrieved. A distinguishing feature of the present evaluation of water spectroscopic data is the systematic use of all available experimental data and validation by first-principles theoretical calculations. © 2009 Elsevier Ltd.
Citation
Tennyson, J.; Bernath, P.F.; Brown, l.R.; Campargue, A.; Carleer, M.R.; Császár, A.G.; Gamache, R.R.; Hodges, J.T.; Jenouvrier, A.; Naumenko, O.V.; Polyansky, O.L.; Rothman, L.S.; Toth, R.A.; Vandaele, A.C.; Zobov, N.F.; Daumont, L.; Fazliev, A.Z.; Furtenbacher, T.; Gordon, I.E.; Mikhailenko, S.N.; Shirin, S.V. (2009). IUPAC critical evaluation of the rotational-vibrational spectra of water vapor. Part I-Energy levels and transition wavenumbers for H2 17O and H2 18O. , Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 110, Issue 9-10, 573-596, DOI: 10.1016/j.jqsrt.2009.02.014.Identifiers
scopus: 2-s2.0-64249142187
Type
Article
Peer-Review
Yes
Language
eng