CC13CCS
Thiobutatrienylidene, X 3Σ, 13C on C3
Species tag 081504
Version1*
Date of EntryOct. 2025
ContributorH. S. P. Müller

Accurate MW laboratory data were reported 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.
Starting spectroscopic parameters were derived from the main isotopic species by scaling parameters by appropriate powers of the ratios of the isotopolog versus the main species. The rotational parameter B was fit; c was estmated from quantum chemical calculations by
(2) H. S. P. Müller, 2018, unpublished;
bF was then fit.
Since the reasonable assumption that λ does not change upon isotopic substitution will not hold strictly, calculations of most fine structure components with J = N or N – 1 should be vied with caution. Transition frequencies above 50 GHz should be viewed with some caution throughout.
The dipole moment was assumed to agree with that of the main isotopolog, see e80501.cat.

Lines Listed231
Frequency / GHz< 120
Max. J39
log STR0-8.5
log STR1-4.0
Isotope Corr. 
Egy / (cm–1)0.0
 µa / D4.48
 µb / D 
 µc / D 
 A / MHz 
 B / MHz1516.69
 C / MHz 
 Q(300.0)24158.7727
 Q(225.0)17977.3513
 Q(150.0)11800.0608
 Q(75.00)5636.4890
 Q(37.50)2581.8907
 Q(18.75)1100.2531
 Q(9.375)425.3240
 Q(5.000)172.8652
 Q(2.725)80.3751
detected in ISM/CSMno


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