IUPAC Critical Evaluation of the Rotational-Vibrational Spectra of Water Vapor. Part II. Energy Levels and Transition Wavenumbers for HD16O, HD17O, and HD18O

Jonathan Tennyson (1) , P. F. Bernath (2, 3) , Linda R. Brown (4) , Alain Campargue (5) , Attila G Csaszar (6) , L. Daumont (7) , Robert Gamache (8) , J.T. Hodges (9) , O. V. Naumenko (10) , O. Polyansky (11, 12) , L. S. Rothman (13) , R.-A. Toth (4) , Ann Carine Vandaele (14) , N.F. Zobov (15) , S. Fally (16) , A. Z. Fazliev (10) , T. Furtenbacher (17) , I.E. Gordon (13) , Shui-Ming Hu (18) , S. N. Mikhailenko (10) , Boris A Voronin (10)

1 Department of Physics and Astronomy [UCL London]
2 Department of Chemistry [Waterloo]
3 Department of Chemistry [York, UK]
4 JPL - Jet Propulsion Laboratory
5 LSP - Laboratoire de Spectrométrie Physique
6 Laboratory of Molecular Spectroscopy
7 GSMA - Groupe de spectrométrie moléculaire et atmosphérique
8 Department of Environmental, Earth, and Atmospheric Sciences [Lowell]
9 NIST - Physics Laboratory
10 IAO - V.E. Zuev Institute of Atmospheric Optics
11 UCL - University College of London [London]
12 Institute of Applied Physics of RAS
13 AMP - Atomic and Molecular Physics Division [Cambridge]
14 BIRA-IASB - Belgian Institute for Space Aeronomy / Institut d'Aéronomie Spatiale de Belgique
15 IAP - Institut of Applied Physics
16 Service de Chimie Quantique et Photophysique
17 ELTE - Eötvös Loránd University
18 Open Laboratory of Bond Selective Chemistry

This is the second of a series of articles reporting critically evaluated rotational-vibrational line positions, transition intensities, pressure dependences, and energy levels, with associated critically reviewed assignments and uncertainties, for all the main isotopologues of water. This article presents Preprint submitted to Journal of Quantitative Spectroscopy & Radiative Transfer10th June 2010 energy levels and line positions of the following singly deuterated isotopologues of water: HD16O, HD17O, and HD18O. The MARVEL (Measured Active Rotational-Vibrational Energy Levels) procedure is used to determine the levels, the lines, and their self-consistent uncertainties for the spectral regions 0–22 708, 0–1 674, and 0–12 105 cm−1 for HD16O, HD17O, and HD18O, respectively. For HD16O, 54 740 transitions were analyzed from 76 sources, the lines come from spectra recorded both at room temperature and from hot samples. These lines correspond to 36 690 distinct assignments and 8 818 energy levels. For HD17O, only 485 transitions could be analyzed from 3 sources; the lines correspond to 162 MARVEL energy levels. For HD18O, 8 729 transitions were analyzed from 11 sources and these lines correspond to 1 860 energy levels. The energy levels are checked against ones determined from accurate variational nuclear motion computations employing exact kinetic energy operators. This comparison shows that the measured transitions account for about 86 % of the anticipated absorbance of HD16O at 296 K and that the transitions predicted by the MARVEL energy levels account for essentially all the remaining absorbance. The extensive list of MARVEL lines and levels obtained are given in the Supplementary Material of this article, as well as in a distributed information system applied to water, W@DIS, where they can easily be retrieved. In addition, the transition and energy level information for H2 17O and H2 18O, given in the first paper of this series [J. Quant. Spectr. Rad. Transfer 110 (2009) 573-596], has been updated. Key words: Water vapor, transition wavenumbers, atmospheric physics, energy levels, MARVEL, information system, database, W@DIS, infrared spectra, microwave spectra, HD16O, HD17O, HD18O

Domaines: Physique Atomique [physics.atom-ph]; Optique [physics.optics]

Jonathan Tennyson, P. F. Bernath, Linda R. Brown, Alain Campargue, Attila G Csaszar, et al.. IUPAC Critical Evaluation of the Rotational-Vibrational Spectra of Water Vapor. Part II. Energy Levels and Transition Wavenumbers for HD16O, HD17O, and HD18O. Journal of Quantitative Spectroscopy and Radiative Transfer, 2010, 111, pp.2160. ⟨10.1016/j.jqsrt.2010.06.012⟩. ⟨hal-00563206⟩