NCHCCS
Cyanoethenthione, cyanothioketene
Species tag 083508
Version1*
Date of EntryMay 2024
ContributorH. S. P. Müller

Extensive experimental laboratory frequencies up to 26 GHz, with resolved hyperfine structure (HFS) splitting and frequencies without HFS splitting from astronomical observations between 31 and 50 GHz were reported in
(1) C. Cabezas, M. Agúndez, Y. Endo, B. Tercero, Y.-P. Lee, N. Marcelino, P. de Vicente, and J. Cernicharo, 2024, Astron. Astrophys. 686, Art. No. L3.
The present calculation includes estimates of d2 and DK. The calculation was truncated in J, Ka, and frequency. The calculations should be sufficient for observations in cold and possibly luke-warm sources. Some caution is advised for a-type transitions with Ka > 2 and for b-type transitions with Ka = 2. The 14N hyperfine splitting may be resolvable at lower frequencies or at lower quantum numbers. Therefore, a separate calculation with hyperfine structure is available that is essentially equivalent to the entry without HFS splitting. The spin-multiplicity of the 14N nucleus was considered in the calculation of the partition function.
The dipole moment components are from a quantum-chemical calculation in (1).

Lines Listed691
Frequency / GHz< 120
Max. J35
log STR0-11.0
log STR1-5.5
Isotope Corr. 
Egy / cm–10.0
 µa / D3.38
 µb / D1.95
 µc / D 
 A / MHz23745.69
 B / MHz1785.881
 C / MHz1658.684
 Q(300.0)318568.2744
 Q(225.0)205996.4775
 Q(150.0)111666.7233
 Q(75.00)39330.3648
 Q(37.50)13883.6560
 Q(18.75)4907.4628
 Q(9.375)1736.6994
 Q(5.000)677.9651
 Q(2.725)273.9606
detected in ISM/CSMyes


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