J/A+A/621/A143 Isotopic H_2_CS laboratory spectroscopic study (Mueller+, 2019) ================================================================================ Laboratory spectroscopic study of isotopic thioformaldehyde, H_2_CS, 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. =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 H_2_CS 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 H_2_^13^C^34^S where the predictions should be reliable to around 700GHz. File Summary: -------------------------------------------------------------------------------- FileName Lrecl Records Explanations -------------------------------------------------------------------------------- ReadMe 80 . This file 111232.dat 104 811 Transitions included in the fit of H_2_CS 111233.dat 95 488 Transitions included in the fit of H_2_CS^33^ 111234.dat 97 246 Transitions included in the fit of H_2_CS^34^ 111236.dat 82 86 Transitions included in the fit of H_2_CS^36^ 111332.dat 97 244 Transitions included in the fit of H_2_C^13^S 111334.dat 80 68 Transitions included in the fit of H_2_C^13^S^34^ 121232.dat 96 151 Transitions included in the fit of HDCS 221232.dat 99 44 Transitions included in the fit of D_2_CS -------------------------------------------------------------------------------- Byte-by-byte Description of file: *.dat -------------------------------------------------------------------------------- Bytes Format Units Label Explanations -------------------------------------------------------------------------------- 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) -------------------------------------------------------------------------------- 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 Brown et al., 1987 = 1987, Mol. Phys., 62, 1429, 1987MolPh..62.1429B Clouthier et al., 1994 = 1994, J. Chem. Phys., 101, 7300, 1994JChPh.101.7300C Cox et al., 1982 = 1982, J. Mol. Spectrosc., 93, 196, 1982JMoSp..93..196C Fabricant et al., 1977 = 1977, J. Chem. Phys., 67, 1576, 1977JChPh..93.1576F Johnson et al., 1970 = 1970, Science, 169, 679, 1970Sci...169..679J Johnson et al., 1971 = 1971, J. Mol. Spectrosc., 39, 136, 1971JMoSp..39..136J Koeln = this paper Marcelino et al., 2005 = 2005ApJ...620..308M McNaughton and Bruget, 1993 = 1993, J. Mol. Spectrosc., 159, 340, 1993JMoSp.159..340M Minowa et al., 1997 = 1997ApJ...491L..63M OSU = this paper -------------------------------------------------------------------------------- Acknowledgements: Holger Mueller, hspm(at)ph1.uni-koeln.de References: Maeda et al., 2008ApJS..176..543M, High-frequency rotational spectrum of thioformaldehyde, H_2_CS, in the ground vibrational state. Mueller et al., 2001A&A...370L..49M, The Cologne Database for Molecular Spectroscopy, CDMS. Mueller & Lewen, 2017JMoSp.331...28M, Submillimeter spectroscopy of H_2_C^17^O and a revisit of the rotational spectra of H_2_C^18^O and H_2_C^16^O Endes at al., 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