DCCS
Deuteroethynylsulfanyl, X 2Πi
Species tag 058523
Version1*
Date of EntryJan. 2025
ContributorH. S. P. Müller

The experimental millimeter and lower submillimeter lines are from
(1) J. Tang, and S. Saito, 1996, J. Chem. Phys. 105, 8020.
Additional lower frequency data with hyperfine structure splitting were taken from
(2) E. Kim, H. Habara, and S. Yamamoto, 2002, J. Mol. Spectrosc. 212, 83.
The spin-orbit splitting was taken from
(3) S.-G. He and D. C. Clouthier, 2005, J. Chem. Phys. 123, Art. No. 014317.
The calculation should be reliable throughout. Slight caution may be advisable at frequencies higher than 400 GHz.
The 2H hyperfine splitting may be resolved for lower J transitions. Therefore, a separate hyperfine calculation up to J' = 4.5 is provided. The 2H spin multiplicity of 3 was considered in the calculation of the partition function !
The dipole moment is from an ab initio calculation from
(4) C. Puzzarini, 2008, Chem. Phys. 346, 45.

Lines Listed262
Frequency / GHz< 720
Max. J67
log STR0-7.5
log STR1-4.0
Isotope Corr. 
Egy / (cm–1)0.0
 µa / D1.288
 µb / D 
 µc / D 
 A / MHz 
 B / MHz5359.817
 C / MHz 
 Q(300.0)9027.1192
 Q(225.0)6260.0684
 Q(150.0)3802.8063
 Q(75.00)1774.6549
 Q(37.50)886.9319
 Q(18.75)449.0143
 Q(9.375)230.1673
 Q(5.000)128.1822
 Q(2.725)75.3981
detected in ISM/CSMno


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