DSC
Thiohydroxymethylidyne, X 2A', deuterated isotopolog
Species tag 046529
Version1*
Date of EntryNov. 2022
ContributorH. S. P. Müller

The laboratory transition frequencies were reported by
(1) H. Habara and S. Yamamoto, 2000, J. Chem. Phys. 112, 10905.
The present parameter set differs slightly from the one in (1). The calculated spectrum should be sufficient for all observational purposes. Caution is advised for frequencies with calculated uncertainties exceeding 0.1 MHz. Some caution is also suggested for transitions with relatively large HFS splitting as the parameters were scaled from those of the parent species.
The dipole moment was assumed to agree with that of the main species, which should be sufficiently close. Its total dipole moment is from a quantum-chemical calculation by
(2) C. Ochsenfeld, R. I. Kaiser, Y. T. Lee, and M. Head-Gordon, 1999, J. Chem. Phys. 110, 9982;
the a and b components were derived in (1) from relative intensity measurements. The uncertainties are probably several percent. We note that no b-type transitions were calculated as none were observed in the laboratory, such that there positions are too uncertain.

Lines Listed1829
Frequency / GHz< 720
Max. J19
log STR0-6.0
log STR1-4.7
Isotope Corr. 
Egy / cm–10.0
 µa / D2.45
 µb / D(0.95)
 µc / D 
 A / MHz155928.
 B / MHz20430.08
 C / MHz17981.85
 Q(300.0)22078.1964
 Q(225.0)14328.9248
 Q(150.0)7796.0259
 Q(75.00)2758.5326
 Q(37.50)978.4876
 Q(18.75)348.5203
 Q(9.375)125.1273
 Q(5.000)50.2268
 Q(2.725)22.3745
detected in ISM/CSMno


Database maintained by Holger S. P. Müller and Sven Thorwirth, programming by D. Roth and F. Schlöder