First analysis of the rotationally-resolved ν2 and 2ν2-ν2 bands of sulfur dioxide, 33S16O2

Blake, T. A.; Flaud, J. -M.; Lafferty, W. J.

doi:10.1016/j.jms.2016.12.011

Title: First analysis of the rotationally-resolved ν₂ and 2ν₂-ν₂ bands of sulfur dioxide, ³³S¹⁶O₂

Journal Article · Tue Jan 03 00:00:00 EST 2017 · Journal of Molecular Spectroscopy

DOI:https://doi.org/10.1016/j.jms.2016.12.011· OSTI ID:1341741

Blake, T. A. ^[1]; Flaud, J. -M. ^[2]; Lafferty, W. J. ^[3]

Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Univ. Paris-Est Creteil (UPEC), Paris (France); Univ. of Paris Diderot (France); Inst. Pierre Simon Laplace (France)
National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States)

A Fourier transform spectrum of sulfur dioxide ³³S¹⁶O₂ has been recorded in the 18.3 μm spectral region at a resolution of 0.002 cm^$$-$$1 using a Bruker IFS 125HR spectrometer leading to the observation of the ν₂ and 2ν₂-ν₂ vibrational bands of the ³³S¹⁶O₂ molecule. The corresponding upper state ro-vibrational levels were fit using Watson-type Hamiltonians. In this way it was possible to reproduce the upper state ro-vibrational levels to within the experimental uncertainty; i.e., ~ 0.20 × 10^$$-$$3 cm^$$-$$1. Finally, very accurate rotational and centrifugal distortion constants were derived from the fit together with the following band centers: ν₀ (ν₂) = 515.659089(50) cm^$$-$$1, ν₀ (2ν₂) = 1030.697723(20) cm^$$-$$1.

View Accepted Manuscript (DOE)

View Accepted Manuscript (Publisher)

Cite

Export

Save

Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-76RL01830

OSTI ID:: 1341741

Alternate ID(s):: OSTI ID: 1411836

Report Number(s):: PNNL-SA-120751; PII: S0022285216302211; TRN: US1701047

Journal Information:: Journal of Molecular Spectroscopy, Vol. 333, Issue C; ISSN 0022-2852

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 13 works

Citation information provided by
Web of Science

References (24)

Volcanic SO 2 emissions and the abundance and distribution of exsolved gas in magma bodies Wallace, P. J. Journal of Volcanology and Geothermal Research, Vol. 108, Issue 1-4 https://doi.org/10.1016/S0377-0273(00)00279-1	journal	August 2001
Io: Longitudinal Distribution of Sulfur Dioxide Frost Nelson, Robert M.; Lane, Arthur L.; Matson, Dennis L. Science, Vol. 210, Issue 4471, p. 784-786 https://doi.org/10.1126/science.210.4471.784	journal	November 1980
Mid-infrared detection of large longitudinal asymmetries in Io's SO atmosphere Spencer, J.; Lellouch, E.; Richter, M. Icarus, Vol. 176, Issue 2 https://doi.org/10.1016/j.icarus.2005.01.019	journal	August 2005
Radio detection of interstellar sulfur dioxide Snyder, L. E.; Hollis, J. M.; Ulich, B. L. The Astrophysical Journal, Vol. 198 https://doi.org/10.1086/181817	journal	June 1975
Microwave spectral tables II. Triatomic molecules Lovas, Frank J. Journal of Physical and Chemical Reference Data, Vol. 7, Issue 4 https://doi.org/10.1063/1.555588	journal	October 1978
Microwave Spectra of Molecules of Astrophysical Interest. XXII. Sulfur Dioxide (SO ₂ ) Lovas, F. J. Journal of Physical and Chemical Reference Data, Vol. 14, Issue 2 https://doi.org/10.1063/1.555729	journal	April 1985
33SO2: Interstellar Identification and Laboratory Measurements Klisch, E.; Schilke, P.; Belov, S. P. Journal of Molecular Spectroscopy, Vol. 186, Issue 2 https://doi.org/10.1006/jmsp.1997.7447	journal	December 1997
High Frequency Transitions in the Rotational Spectrum of SO2 Belov, S. P.; Tretyakov, M. Y.; Kozin, I. N. Journal of Molecular Spectroscopy, Vol. 191, Issue 1 https://doi.org/10.1006/jmsp.1998.7576	journal	September 1998
The Rotational Spectrum of SO2 and the Determination of the Hyperfine Constants and Nuclear Magnetic Shielding Tensors of 33SO2 and SO17O Müller, Holger S. P.; Farhoomand, Jam; Cohen, Edward A. Journal of Molecular Spectroscopy, Vol. 201, Issue 1 https://doi.org/10.1006/jmsp.2000.8072	journal	May 2000
Accurate rotational spectroscopy of sulfur dioxide, SO2, in its ground vibrational and first excited bending states, v2=0, 1, up to 2THz Müller, Holger S. P.; Brünken, Sandra Journal of Molecular Spectroscopy, Vol. 232, Issue 2 https://doi.org/10.1016/j.jms.2005.04.010	journal	August 2005
³³ S hyperfine interactions in H ₂ S and SO ₂ and revision of the sulfur nuclear magnetic shielding scale Helgaker, Trygve; Gauss, Jürgen; Cazzoli, Gabriele The Journal of Chemical Physics, Vol. 139, Issue 24 https://doi.org/10.1063/1.4849177	journal	December 2013
The ν1 bands of 32S18O2 and 34S18O2 from infrared-microwave double resonance Lindenmayer, Josef; Jones, Harold; Rudolph, H. D. Journal of Molecular Spectroscopy, Vol. 101, Issue 1 https://doi.org/10.1016/0022-2852(83)90020-6	journal	September 1983
Laser spectroscopy of sulfur dioxide: The ν1 band of 32S16O18O and the ν3 band of 32S18O2 Lindenmayer, Josef; Jones, Harold Journal of Molecular Spectroscopy, Vol. 126, Issue 1 https://doi.org/10.1016/0022-2852(87)90075-0	journal	November 1987
A Reanalysis of the (010), (020), (100), and (001) Rotational Levels of 32S16O2 Flaud, J. M.; Perrin, A.; Salah, L. M. Journal of Molecular Spectroscopy, Vol. 160, Issue 1 https://doi.org/10.1006/jmsp.1993.1174	journal	July 1993
High resolution analysis of the rotational levels of the (000), (010), (100), (001), (020), (110) and (011) vibrational states of 34S16O2 Lafferty, W. J.; Flaud, J. -M.; Sams, R. L. Journal of Molecular Spectroscopy, Vol. 252, Issue 1 https://doi.org/10.1016/j.jms.2008.06.013	journal	November 2008
On the high resolution spectroscopy and intramolecular potential function of SO2 Ulenikov, O. N.; Bekhtereva, E. S.; Alanko, S. Journal of Molecular Spectroscopy, Vol. 257, Issue 2 https://doi.org/10.1016/j.jms.2009.07.005	journal	October 2009
Line intensities for the ν1, ν3 and ν1+ν3 bands of 34SO2 Flaud, J. -M.; Lafferty, W. J.; Sams, R. L. Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 110, Issue 9-10 https://doi.org/10.1016/j.jqsrt.2008.12.003	journal	June 2009
Re-analysis of the (100), (001), and (020) rotational structure of SO2 on the basis of high resolution FTIR spectra Ulenikov, O. N.; Onopenko, G. A.; Gromova, O. V. Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 130 https://doi.org/10.1016/j.jqsrt.2013.04.011	journal	November 2013
High resolution analysis of 32S18O2 spectra: The ν1 and ν3 interacting bands Ulenikov, O. N.; Bekhtereva, E. S.; Krivchikova, Yu. V. Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 166 https://doi.org/10.1016/j.jqsrt.2015.07.004	journal	November 2015
The Cologne Database for Molecular Spectroscopy, CDMS: a useful tool for astronomers and spectroscopists Müller, Holger S. P.; Schlöder, Frank; Stutzki, Jürgen Journal of Molecular Structure, Vol. 742, Issue 1-3 https://doi.org/10.1016/j.molstruc.2005.01.027	journal	May 2005
The 2 v ₂ , v ₁ and v ₃ bands of H ₂ ¹⁶ O: Rotational study of the (000) and (020) states Flaud, J. M.; Camy-Peyret, C. Molecular Physics, Vol. 26, Issue 4 https://doi.org/10.1080/00268977300102121	journal	October 1973
Line Intensities for the 8-μm Bands of SO2 Chu, P. M.; Wetzel, S. J.; Lafferty, W. J. Journal of Molecular Spectroscopy, Vol. 189, Issue 1 https://doi.org/10.1006/jmsp.1997.7517	journal	May 1998
The HITRAN2012 molecular spectroscopic database Rothman, L. S.; Gordon, I. E.; Babikov, Y. Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 130, p. 4-50 https://doi.org/10.1016/j.jqsrt.2013.07.002	journal	November 2013
Empirical infrared line lists for five SO2 isotopologues: 32/33/34/36S16O2 and 32S18O2 Huang, Xinchuan; Schwenke, David W.; Lee, Timothy J. Journal of Molecular Spectroscopy, Vol. 311 https://doi.org/10.1016/j.jms.2015.01.010	journal	May 2015

Cited By (1)

Isotope shifts and band progressions in SO ₂ rovibrational energy levels: using quantum theory to extract rotational constants Kumar, Praveen; Poirier, Bill Molecular Physics, Vol. 117, Issue 18 https://doi.org/10.1080/00268976.2019.1567850	journal	January 2019

Similar Records

First analysis of the rotationally-resolved ν 2 and 2 ν 2 - ν 2 bands of sulfur dioxide, 33 S 16 O 2

Journal Article · Wed Mar 01 00:00:00 EST 2017 · Journal of Molecular Spectroscopy · OSTI ID:1341741

Blake, T. A.; Flaud, J. -M.; Lafferty, W. J.

Line positions and intensities of the phosphine (PH₃) Pentad near 4.5μm

Journal Article · Tue Apr 01 00:00:00 EDT 2014 · Journal of Molecular Spectroscopy · OSTI ID:1341741

Malathy Devi, V.; Kleiner, Isabelle; Sams, Robert L.; +3 more

Study of the High Resolution Spectrum of the S{sup 18}O{sup 16}O Molecule in the Hot 2ν{sub 2} + ν{sub 3} – ν{sub 2} Band

Journal Article · Tue May 15 00:00:00 EDT 2018 · Russian Physics Journal · OSTI ID:1341741

Related Subjects

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY
36 MATERIALS SCIENCE
Sulfur dioxide
Sulfur-33 isotope
High resolution Fourier transform infrared spectroscopy
Ro-vibrational constants

Title: First analysis of the rotationally-resolved ν2 and 2ν2-ν2 bands of sulfur dioxide, 33S16O2

Citation Formats

References (24)

Cited By (1)

Similar Records

Related Subjects

Title: First analysis of the rotationally-resolved ν₂ and 2ν₂-ν₂ bands of sulfur dioxide, ³³S¹⁶O₂