J/A+A/62X/AYY Laboratory spectroscopic study of isotopic H2CS (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. =2019A&A...62XA..YYM (SIMBAD/NED BibCode) ================================================================================ ADC_Keywords: Interstellar medium ; Spectroscopy ; Molecular physics Keywords: molecular data - methods: laboratory: molecular - techniques: spectroscopic - radio lines: ISM - ISM: molecules - astrochemistry Abstract (includes Description): 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 377 GHz. Individual lines were studied for most species in two frequency regions between 566 and 930 GHz. Further data were obtained for the three most abundant species in the 1290-1390 GHz 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 1 THz with the exception of H2(13)C(34)S where the predictions should be reliable to around 700 GHz. File Summary: -------------------------------------------------------------------------------- FileName Lrecl Records Explanations -------------------------------------------------------------------------------- ReadMe 80 . This file 111232.txt 93 811 Transitions included in the fit of H2CS 111233.txt 89 488 Transitions included in the fit of H2CS-33 111234.txt 91 246 Transitions included in the fit of H2CS-34 111236.txt 76 86 Transitions included in the fit of H2CS-36 111332.txt 91 244 Transitions included in the fit of H2C-13-S 111334.txt 74 68 Transitions incl. in the fit of H2C-13-S-34 121232.txt 90 151 Transitions included in the fit of HDCS 221232.txt 93 44 Transitions included in the fit of D2CS -------------------------------------------------------------------------------- See also: J/ApJS/176/543 : Rotational spectroscopy of thioformaldehyde (Maeda+, 2008) J/JMSp/331/28 : Rotational spectroscopy H2CO-17/18/16 (Mueller&Lewen, 2017) J/A+A/370/L49 : Cologne Database for Molecular Spectroscopy (Mueller+, 2001) J/JMSp/327/95 : The CDMS in the Virt. At. & Mol. Data Centre (Endres+, 2016) Byte-by-byte Description of file: H2CS_suppl.txt -------------------------------------------------------------------------------- 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 isot. only) 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 isot. only) 29- 42 F14.6 MHz* FreqObs Observed transition frequency 44- 52 F9.6 MHz* e_FreqObs Experimental uncertainty 54- 63 F10.7 MHz* (O-C) Observed minus calculated frequency (for group of lines if they are at the same frequency) 65- 70 F6.4 --- wb Weight of the component in group of lines 72- 93 A22 --- Notes Source of data (reference); OSU & Koeln are from this work -------------------------------------------------------------------------------- * Units are invers centimeters if e_FreqObs is negative Notes have slightly different lengths --------------------------------------------------------------------------------