DSCN
Thiocyanic acid, hydrogen thiocyanate, deuterated isotopolog
Species tag 060515
Version1*
Date of EntryAug. 2016
ContributorH. S. P. Müller

The lines were taken from
(1) B. A. McGuire, M.-A. Martin-Drumel, S. Thorwirth, S. Brünken, V. Lattanzi, J. L. Neill, S. Spezzano, Z. Yu, D. P. Zaleski, A. J. Remijan, B. H. Pate, and M. C. McCarthy, 2016, Phys. Chem. Chem. Phys. 18, 22693.
Higher order spectroscopic parameters were estimated from the main isotopolog. Predictions may be reasonable up to about 100 GHz. Predictions of transitions with Ka = 2 should be viewed with great caution.
14N and possibly D hyperfine splitting may be resolved for low values of J. Therefore, a separate hyperfine calculation is provided for J' ≤ 4 and Ka ≤ 1 along with appropriate partition function values.
The ab initio dipole moment was taken from
(2) D. E. Woon and E. Herbst, 2009, Astrophys. J. Suppl. Ser. 185, 273.
The molecule has also a moderately large b-dipole moment component. However, predictions would be completely unreliable at present and have thus been omitted.

Lines Listed125
Frequency / GHz< 300
Max. J27
log STR0-8.5
log STR1-3.3
Isotope Corr.-3.836
Egy / cm–10.0
 µa / D3.33
 µb / D 
 µc / D 
 A / MHz~151800
 B / MHz5705.100
 C / MHz5489.249
 Q(300.0)12751.3851
 Q(225.0)8276.0827
 Q(150.0)4502.0694
 Q(75.00)1591.3514
 Q(37.50)563.0591
 Q(18.75)199.4991
 Q(9.375)70.8596
 Q(5.000)27.8906
 Q(2.725)11.9308
detected in ISM/CSMyes


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