NCCS
Thioxocyanomethyl, X 2A'
Species tag 070515
Version1*
Date of EntryOct. 2024
ContributorH. S. P. Müller

The molecule is non-linear albeit close to a linear one. The measurements were taken from
(1) M. Nakajima, Y. Sumiyoshi, and Y. Endo, 2003, J. Chem. Phys. 118, 7803.
Only Ka = 0 transitions have been observed in the laboratory so far. Therefore, the rotational constants are known only approximately. Transitions involving Ka = 1 cannot be calculated reliably predominantly because the size of εaa is not known. Moreover, since the barrier to linearity may be small it is conceivable that knowledge of the Ka = 1 energies will not help much in locating higher energy levels. Therefore, only transitions involving Ka = 0 are provided. Nevertheless, the calculation may well be sufficient for all observational purposes. Transition frequencies with calculated uncertainties exceeding 0.2 MHz should be viewed with caution. Some deviation may also occur in the hyperfine structure splitting at higher rotational quantum numbers.
The partition function takes into account higher Ka values as far as possible at present.
The total dipole moment is from a quantum chemical calculation from
(2) M. C. McCarthy, A. L. Cooksy, S. Mohamed, V. D. Gordon, and P. Thaddeus, 2003, Astrophys. J. Suppl. Ser. 144, 287.
The reported dipole moment is the total one, the a-component is slightly smaller. However, the difference is likely smaller than the uncertainty of this value.

Lines Listed260
Frequency / GHz< 120
Max. J21
log STR0-8.5
log STR1-7.0
Isotope Corr. 
Egy / cm–10.0
 µa / D2.49
 µb / D(?)
 µc / D 
 A / MHz~186470
 B / MHz~2851
 C / MHz~2808
 Q(300.0)136259.9731
 Q(225.0)88497.7843
 Q(150.0)48178.3855
 Q(75.00)17049.1044
 Q(37.50)6041.0515
 Q(18.75)2145.6601
 Q(9.375)765.6940
 Q(5.000)304.8563
 Q(2.725)134.5744
detected in ISM/CSMno


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