IUPAC critical evaluation of the rotational-vibrational spectra of water vapor. Part I-Energy levels and transition wavenumbers for (H2O)-O-17 and (H2O)-O-18

Jonathan Tennyson; Peter F. Bernath; Linda R. Brown; Alain Campargue; Michel R. Carleere; Attila G. Csaszar; Robert R. Gamache; Joseph T. Hodges; Alain Jenouvrier; Olga V. Naumenko; Oleg L. Polyansky; Laurence S. Rothman; Robert A. Toth; Ann Carine Vandaele; Nikolai F. Zobov; Ludovic Daumont; Alexander Z. Fazliev; Tibor Furtenbacher; Iouli E. Gordon; Semen N. Mikhailenko; Sergei V. Shirin

doi:10.1016/j.jqsrt.2009.02.014

IUPAC critical evaluation of the rotational-vibrational spectra of water vapor. Part I-Energy levels and transition wavenumbers for (H2O)-O-17 and (H2O)-O-18

Jonathan Tennyson, Peter F. Bernath, Linda R. Brown, Alain Campargue, Michel R. Carleere, Attila G. Csaszar, Robert R. Gamache, Joseph T. Hodges, Alain Jenouvrier, Olga V. Naumenko, Oleg L. Polyansky, Laurence S. Rothman, Robert A. Toth, Ann Carine Vandaele, Nikolai F. Zobov, Ludovic Daumont, Alexander Z. Fazliev, Tibor Furtenbacher, Iouli E. Gordon, Semen N. MikhailenkoSergei V. Shirin

Chemistry

Research output: Contribution to journal › Literature review › peer-review

Abstract

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 (H2O)-O-17 and (H2O)-O-18. 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 (H2O)-O-17 and (H2O)-O-18 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 (H2O)-O-17, and 4839 and 29364 for (H2O)-O-18. 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. (c) 2009 Elsevier Ltd. All rights reserved.

Original language	English
Pages (from-to)	573-596
Number of pages	24
Journal	Journal of Quantitative Spectroscopy and Radiative Transfer
Volume	110
Issue number	9-10
DOIs	https://doi.org/10.1016/j.jqsrt.2009.02.014
Publication status	Published - Jun 2009

Keywords

Water vapor
Transition wavenumbers
Atmospheric physics
Energy levels
MARVEL
Information system
Database
Infrared spectra
Microwave spectra
SUBMILLIMETER MICROWAVE-SPECTRUM
LORENTZ-BROADENING COEFFICIENTS
CENTRIFUGAL-DISTORTION ANALYSIS
FOURIER-TRANSFORM SPECTROSCOPY
RESOLUTION INFRARED SPECTRA
LINE-SHIFT COEFFICIENTS
RING-DOWN SPECTROSCOPY
1.39 MU-M
INTERACTING STATES
ABSORPTION-SPECTRA

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10.1016/j.jqsrt.2009.02.014

Cite this

Tennyson, J., Bernath, P. F., Brown, L. R., Campargue, A., Carleere, M. R., Csaszar, 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., ... Shirin, S. V. (2009). IUPAC critical evaluation of the rotational-vibrational spectra of water vapor. Part I-Energy levels and transition wavenumbers for (H2O)-O-17 and (H2O)-O-18. Journal of Quantitative Spectroscopy and Radiative Transfer, 110(9-10), 573-596. https://doi.org/10.1016/j.jqsrt.2009.02.014

@article{41c1a5ab898d4a89befab685c0bc5ee9,

title = "IUPAC critical evaluation of the rotational-vibrational spectra of water vapor. Part I-Energy levels and transition wavenumbers for (H2O)-O-17 and (H2O)-O-18",

abstract = "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 (H2O)-O-17 and (H2O)-O-18. 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 (H2O)-O-17 and (H2O)-O-18 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 (H2O)-O-17, and 4839 and 29364 for (H2O)-O-18. 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. (c) 2009 Elsevier Ltd. All rights reserved.",

keywords = "Water vapor, Transition wavenumbers, Atmospheric physics, Energy levels, MARVEL, Information system, Database, Infrared spectra, Microwave spectra, SUBMILLIMETER MICROWAVE-SPECTRUM, LORENTZ-BROADENING COEFFICIENTS, CENTRIFUGAL-DISTORTION ANALYSIS, FOURIER-TRANSFORM SPECTROSCOPY, RESOLUTION INFRARED SPECTRA, LINE-SHIFT COEFFICIENTS, RING-DOWN SPECTROSCOPY, 1.39 MU-M, INTERACTING STATES, ABSORPTION-SPECTRA",

author = "Jonathan Tennyson and Bernath, {Peter F.} and Brown, {Linda R.} and Alain Campargue and Carleere, {Michel R.} and Csaszar, {Attila G.} and Gamache, {Robert R.} and Hodges, {Joseph T.} and Alain Jenouvrier and Naumenko, {Olga V.} and Polyansky, {Oleg L.} and Rothman, {Laurence S.} and Toth, {Robert A.} and Vandaele, {Ann Carine} and Zobov, {Nikolai F.} and Ludovic Daumont and Fazliev, {Alexander Z.} and Tibor Furtenbacher and Gordon, {Iouli E.} and Mikhailenko, {Semen N.} and Shirin, {Sergei V.}",

year = "2009",

month = jun,

doi = "10.1016/j.jqsrt.2009.02.014",

language = "English",

volume = "110",

pages = "573--596",

journal = "Journal of Quantitative Spectroscopy and Radiative Transfer",

issn = "0022-4073",

publisher = "Elsevier",

number = "9-10",

}

Tennyson, J, Bernath, PF, Brown, LR, Campargue, A, Carleere, MR, Csaszar, AG, Gamache, RR, Hodges, JT, Jenouvrier, A, Naumenko, OV, Polyansky, OL, Rothman, LS, Toth, RA, Vandaele, AC, Zobov, NF, Daumont, L, Fazliev, AZ, Furtenbacher, T, Gordon, IE, Mikhailenko, SN & Shirin, SV 2009, 'IUPAC critical evaluation of the rotational-vibrational spectra of water vapor. Part I-Energy levels and transition wavenumbers for (H2O)-O-17 and (H2O)-O-18', Journal of Quantitative Spectroscopy and Radiative Transfer, vol. 110, no. 9-10, pp. 573-596. https://doi.org/10.1016/j.jqsrt.2009.02.014

IUPAC critical evaluation of the rotational-vibrational spectra of water vapor. Part I-Energy levels and transition wavenumbers for (H2O)-O-17 and (H2O)-O-18. / Tennyson, Jonathan; Bernath, Peter F.; Brown, Linda R. et al.
In: Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 110, No. 9-10, 06.2009, p. 573-596.

Research output: Contribution to journal › Literature review › peer-review

TY - JOUR

T1 - IUPAC critical evaluation of the rotational-vibrational spectra of water vapor. Part I-Energy levels and transition wavenumbers for (H2O)-O-17 and (H2O)-O-18

AU - Tennyson, Jonathan

AU - Bernath, Peter F.

AU - Brown, Linda R.

AU - Campargue, Alain

AU - Carleere, Michel R.

AU - Csaszar, Attila G.

AU - Gamache, Robert R.

AU - Hodges, Joseph T.

AU - Jenouvrier, Alain

AU - Naumenko, Olga V.

AU - Polyansky, Oleg L.

AU - Rothman, Laurence S.

AU - Toth, Robert A.

AU - Vandaele, Ann Carine

AU - Zobov, Nikolai F.

AU - Daumont, Ludovic

AU - Fazliev, Alexander Z.

AU - Furtenbacher, Tibor

AU - Gordon, Iouli E.

AU - Mikhailenko, Semen N.

AU - Shirin, Sergei V.

PY - 2009/6

Y1 - 2009/6

N2 - 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 (H2O)-O-17 and (H2O)-O-18. 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 (H2O)-O-17 and (H2O)-O-18 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 (H2O)-O-17, and 4839 and 29364 for (H2O)-O-18. 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. (c) 2009 Elsevier Ltd. All rights reserved.

AB - 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 (H2O)-O-17 and (H2O)-O-18. 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 (H2O)-O-17 and (H2O)-O-18 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 (H2O)-O-17, and 4839 and 29364 for (H2O)-O-18. 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. (c) 2009 Elsevier Ltd. All rights reserved.

KW - Water vapor

KW - Transition wavenumbers

KW - Atmospheric physics

KW - Energy levels

KW - MARVEL

KW - Information system

KW - Database

KW - Infrared spectra

KW - Microwave spectra

KW - SUBMILLIMETER MICROWAVE-SPECTRUM

KW - LORENTZ-BROADENING COEFFICIENTS

KW - CENTRIFUGAL-DISTORTION ANALYSIS

KW - FOURIER-TRANSFORM SPECTROSCOPY

KW - RESOLUTION INFRARED SPECTRA

KW - LINE-SHIFT COEFFICIENTS

KW - RING-DOWN SPECTROSCOPY

KW - 1.39 MU-M

KW - INTERACTING STATES

KW - ABSORPTION-SPECTRA

UR - http://www.scopus.com/inward/record.url?scp=64249142187&partnerID=8YFLogxK

U2 - 10.1016/j.jqsrt.2009.02.014

DO - 10.1016/j.jqsrt.2009.02.014

M3 - Literature review

SN - 0022-4073

VL - 110

SP - 573

EP - 596

JO - Journal of Quantitative Spectroscopy and Radiative Transfer

JF - Journal of Quantitative Spectroscopy and Radiative Transfer

IS - 9-10

ER -

IUPAC critical evaluation of the rotational-vibrational spectra of water vapor. Part I-Energy levels and transition wavenumbers for (H2O)-O-17 and (H2O)-O-18

Abstract

Keywords

Access to Document

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