D2CS
Thioformaldehyde, doubly deuterated isotopolog
Species tag 048507
Version3*
Date of EntryDec. 2023
ContributorH. S. P. Müller

The present entry considers a large set of millimeter and submillimeter data, such that it differs considerably from the previous ones from Jan. 2019 and Feb. 2006, in particular at higher frequencies or quantum numbers. The (sub-) millimeter data were reported by
(1) N. Inostroza-Pino, V. Lattanzi, C. Z. Palmer, R. C. Fortenberry, D. Mardones, P. Caselli, O. E. Godwin, and T. J. Lee, 2024, Mol. Phys., Art. No. e2280762.
Several microwave transitions have been reported by
(2) A. P. Cox, S. D. Hubbard, and H. Kato, 1982, J. Mol. Spectrosc. 93, 196.
Two additional lines were retained from astronomical observations in
(3) N. Marcelino, J. Cernicharo, E. Roueff, M. Gerin, and R. Mauersberger, 2005, Astrophys. J. 620, 308.
The parameters are essentially the same as in (1); exceptions are an estimate of HK from the previous entry and HJ, which was kept fixed to a value from a quantum chemical calculation in (1).
Calculations should be sufficient for all observational purposes. Frequencies with ΔKa = 2 or with calculated uncertainties exceeding 0.2 MHz should be vied with caution.
The dipole moment was measured in (2).
At low temperatures, it may be necessary to discern between ortho-D2CS and para-D2CS. The ortho states are described by Ka even, the para states by Ka odd. The nuclear spin-weights are 2 and 1 for ortho-H2CS and para-H2CS, respectively. The JKaKc = 111 is the lowest para state. It is 5.3333 cm–1 above ground.

Lines Listed2127
Frequency / GHz< 1500
Max. J55
log STR0-9.5
log STR1-7.0
Isotope Corr. 
Egy / cm–10.0
 µa / D1.6588
 µb / D 
 µc / D 
 A / MHz146399.5
 B / MHz14904.252
 C / MHz13495.833
 Q(300.0)7681.9201
 Q(225.0)4987.6118
 Q(150.0)2714.5057
 Q(75.00)960.5017
 Q(37.50)340.4640
 Q(18.75)121.1646
 Q(9.375)44.3733
 Q(5.000)19.2340
 Q(2.725)9.3545
detected in ISM/CSMyes


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