HC4S
Butadiynethionyl, butadiynylsulfanyl, X 2Πi
Species tag 081501
Version2*
Date of EntryNov. 2022
ContributorH. S. P. Müller

The experimental lines are from
(1) Y. Hirahara, Y. Ohshima, and Y. Endo, 1994, J. Chem. Phys. 101, 7342.
With respect to the first entry from Feb. 2018, transition frequencies from astronomical observations were added. These were reported by
(2) R. Fuentetaja, M. Agúndez, C. Cabezas, B. Tercero, N. Marcelino, J. R. Pardo, P. de Vicente, and J. Cernicharo, 2022, Astron. Astrophys. 667, Art. No. L4.
The reported uncertainties of 10 kHz were slightly optimistic and were doubled. The spin-orbit splitting is very uncertain. Therefore, calculations for the higher Π1/2 spin component were omitted. In addition, calculations were truncated above 180 GHz. Caution is advised for calculations higher than 93 GHz.
The dipole moment is from an estimate based on ab initio calculations by
(3) H. S. P. Müller, 2018, unpublished;
and should be taken cautiously.

Lines Listed244
Frequency / GHz< 180
Max. J62
log STR0-8.0
log STR1-4.5
Isotope Corr. 
Egy / (cm–1)0.0
 µa / D1.45
 µb / D 
 µc / D 
 A / MHz 
 B / MHz1434.298
 C / MHz 
 Q(300.0)30116.2071
 Q(225.0)21628.3398
 Q(150.0)13328.8543
 Q(75.00)5582.1816
 Q(37.50)2357.0485
 Q(18.75)1104.2541
 Q(9.375)552.5577
 Q(5.000)298.1576
 Q(2.725)165.9238
detected in ISM/CSMyes


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