H2C13CCS
Propadienethione; isotopolog with 13C on C2
Species tag 071513
Version1*
Date of EntryMay 2022
ContributorH. S. P. Müller

Very accurate microwave data were published by
(1) M. C. McCarthy, K. L. K. Lee, J. P. Porterfield, P. B. Changala, and A. K. Eckhardt, 2021, Mol. Phys. 119, Art. No. e1975052.
Additional lines are from
(2) R. D. Brown, K. G. Dyall, P. D. Godfrey, P. C. Elmes, and D. Mc Naughton, 1988, J. Am. Chem. Soc. 110, 789.
Some spectroscopic parameters were estimated from the main isotopolog by
(3) H. S. P. Müller, 2002, unpublished.
The calculations should be accurate enough for observations in cold sources. Ka = 0 and 1 may be reliable enough up to the 3 mm region. Transitions involving higher Ka should be viewed with increasing caution.
13C nuclear spin-rotation splitting may be resolvable in cold sources for Ka = 1. Therefore, a separate 13C hyperfine calculation is provided. Note: the spin multiplicity gI of 2 for the 13C nucleus has been considered At low temperatures, it may be necessary to discern between ortho-H2C13CCS and para-H2C13CCS. The ortho states are described by Ka odd, the para states by Ka even. The nuclear spin-weights are 3 and 1 for ortho-H2C13CCS and para-H2C13CCS, respectively. The JKaKc = 111 level is the lowest ortho level. It is approximately 9.6 cm–1 above ground.
The dipole moment of the main isotopolog was taken from (2).

Lines Listed303
Frequency / GHz< 120
Max. J24
log STR0-8.5
log STR1-4.3
Isotope Corr. 
Egy / (cm–1)0.0
 µa / D2.064
 µb / D 
 µc / D 
 A / MHz285E+03
 B / MHz2520.081
 C / MHz2496.831
 Q(300.0)82930.6690
 Q(225.0)53837.4791
 Q(150.0)29292.1089
 Q(75.00)10353.5839
 Q(37.50)3657.2995
 Q(18.75)1251.7511
 Q(9.375)375.5337
 Q(5.000)116.3268
 Q(2.725)47.7651
detected in ISM/CSMno


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