J/A+A/621/A143 Isotopic H2CS laboratory spectroscopic study (Mueller+, 2019)
Laboratory spectroscopic study of isotopic thioformaldehyde, H2CS, and
determination of its equilibrium structure.
Mueller H. S. P., Maeda A., Thorwirth S., Lewen F., Schlemmer S.,
Medvedev I. R., Winnewisser M., De Lucia, F. C., Herbst E.
<Astron. Astrophys. 621, A143 (2019)>
=2019A&A...621A.143M 2019A&A...621A.143M (SIMBAD/NED BibCode)
ADC_Keywords: Atomic physics ; Interstellar medium ; Spectroscopy
Keywords: molecular data - methods: laboratory: molecular -
techniques: spectroscopic - radio lines: ISM - ISM: molecules -
astrochemistry
Abstract:
Thioformaldehyde is an abundant molecule in various regions of the
interstellar medium. However, available laboratory data limit the
accuracies of calculated transition frequencies in the submillimeter
region, in particular for minor isotopic species.
We aim to determine spectroscopic parameters of isotopologs of H2CS
that are accurate enough for predictions well into the submillimeter
region.
Description:
We investigated the laboratory rotational spectra of numerous isotopic
species in natural isotopic composition almost continuously between
110 and 377GHz. Individual lines were studied for most species in two
frequency regions between 566 and 930GHz. Further data were obtained
for the three most abundant species in the 1290-1390GHz region.
New or improved spectroscopic parameters were determined for seven
isotopic species. Quantum-chemical calculations were carried out to
evaluate the differences between ground state and equilibrium
rotational parameters to derive semi-empirical equilibrium structural
parameters.
The spectroscopic parameters are accurate enough for predictions well
above 1THz with the exception of H213C34S where the predictions
should be reliable to around 700GHz.
File Summary:
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FileName Lrecl Records Explanations
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ReadMe 80 . This file
111232.dat 104 811 Transitions included in the fit of H2CS
111233.dat 95 488 Transitions included in the fit of H2CS33
111234.dat 97 246 Transitions included in the fit of H2CS34
111236.dat 82 86 Transitions included in the fit of H2CS36
111332.dat 97 244 Transitions included in the fit of H2C13S
111334.dat 80 68 Transitions included in the fit of H2C13S34
121232.dat 96 151 Transitions included in the fit of HDCS
221232.dat 99 44 Transitions included in the fit of D2CS
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Byte-by-byte Description of file: *.dat
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Bytes Format Units Label Explanations
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1- 4 I4 --- J' Upper state J quantum number
5- 7 I3 --- Ka' Upper state Ka quantum number
8- 10 I3 --- Kc' Upper state Kc quantum number
11- 13 I3 --- F'+0.5 ? Upper state total spin F
(for 33S isotoolog only, file 111233.dat)
14- 16 I3 --- J" Lower state J quantum number
17- 19 I3 --- Ka" Lower state Ka quantum number
20- 22 I3 --- Kc" Lower state Kc quantum number
23- 25 I3 --- F"+0.5 ? Lower state total spin F
(for 33S isotoolog only, file 111233.dat)
29- 42 F14.6 --- FreqObs Observed transition frequency (1)
45- 48 A4 --- x_FreqObs [MHz cm-1] units for FreqObs, e_FreqObs and
(O-C)
51- 58 F8.6 --- e_FreqObs Experimental uncertainty (1)
60- 69 F10.7 --- (O-C) Observed minus calculated frequency
(for group of lines if they are at the same
frequency) (1)
71- 76 F6.4 --- wb ? Weight of the component in group of lines
78-109 A32 --- Notes Source of data (reference) (2)
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Note (1): Units are MHz or invers centimeters.
Note (2): References as follows:
Beers et al., 1972 = 1972, J. Mol. Spectrosc., 44, 553,
1972JMoSp..44..553B 1972JMoSp..44..553B
Brown et al., 1987 = 1987, Mol. Phys., 62, 1429,
1987MolPh..62.1429B 1987MolPh..62.1429B
Clouthier et al., 1994 = 1994, J. Chem. Phys., 101, 7300,
1994JChPh.101.7300C 1994JChPh.101.7300C
Cox et al., 1982 = 1982, J. Mol. Spectrosc., 93, 196,
1982JMoSp..93..196C 1982JMoSp..93..196C
Fabricant et al., 1977 = 1977, J. Chem. Phys., 67, 1576,
1977JChPh..93.1576F 1977JChPh..93.1576F
Johnson et al., 1970 = 1970, Science, 169, 679,
1970Sci...169..679J 1970Sci...169..679J
Johnson et al., 1971 = 1971, J. Mol. Spectrosc., 39, 136,
1971JMoSp..39..136J 1971JMoSp..39..136J
Koeln = this paper
Marcelino et al., 2005 = 2005ApJ...620..308M 2005ApJ...620..308M
McNaughton and Bruget, 1993 = 1993, J. Mol. Spectrosc., 159, 340,
1993JMoSp.159..340M 1993JMoSp.159..340M
Minowa et al., 1997 = 1997ApJ...491L..63M 1997ApJ...491L..63M
OSU = this paper
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Acknowledgements:
Holger Mueller, hspm(at)ph1.uni-koeln.de
References:
Maeda et al., 2008ApJS..176..543M 2008ApJS..176..543M, High-frequency rotational spectrum of
thioformaldehyde, H2CS, in the ground vibrational state.
Mueller et al., 2001A&A...370L..49M 2001A&A...370L..49M,
The Cologne Database for Molecular Spectroscopy, CDMS.
Mueller & Lewen, 2017JMoSp.331...28M 2017JMoSp.331...28M, Submillimeter spectroscopy of
H2C17O and a revisit of the rotational spectra of H2C18O
and H2C16O
Endes at al., 2016JMoSp.327...95E 2016JMoSp.327...95E, The Cologne Database for Molecular
Spectroscopy, CDMS, in the Virtual Atomic and Molecular Data Centre, VAMDC
(End) Patricia Vannier [CDS] 10-Dec-2018