H13CS
Thioxomethyl, thioformyl, X 2A', 13C isotopolog
Species tag 046532
Version1*
Date of EntryDec. 2022
ContributorH. S. P. Müller

The measurements were taken from
(1) H. Habara and S. Yamamoto, 2003, J. Mol. Spectrosc. 219, 30.
The parameter set differs considerably from that in (1); several parameters were evaluated from a quantum-chemical calculation or from other derivations by
(2) H. S. P. Müller, 2022, unpublished.
Only the N = 1 – 0 transition was observed in the laboratory so far. Therefore, only transitions with Ka = 0 are available; they may be quite fine up to N = 3 – 2, the two next ones should be viewed with greater caution.
The partition function takes into account higher Ka values as far as possible at present.
The total dipole moment (1.02) is from an ab initio calculation from
(3) C. Ochsenfeld, R. I. Kaiser, Y. T. Lee, and M. Head-Gordon, 1999, J. Chem. Phys. 110, 9982.
An a dipole component of 0.4 D was communicated to the authors of a HSC article
(4) H. Habara and S. Yamamoto, 2000, J. Chem. Phys. 112, 10905.
In addition, there should be a b dipole component of about 0.9 D.

Lines Listed68
Frequency / GHz< 200
Max. J5
log STR0-8.0
log STR1-6.7
Isotope Corr. 
Egy / cm–10.0
 µa / D0.4
 µb / D(0.9)
 µc / D 
 A / MHz~942000
 B / MHz~19444.2
 C / MHz~19054.2
 Q(300.0)11885.4683
 Q(225.0)7720.4943
 Q(150.0)4204.2402
 Q(75.00)1488.9895
 Q(37.50)528.7457
 Q(18.75)194.5920
 Q(9.375)85.1572
 Q(5.000)45.9781
 Q(2.725)26.3519
detected in ISM/CSMno


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