DNCS, a-type
Isothiocyanic acid, deuterated species, a-type transitions
Species tag 060510
Version1*
Date of EntryAug. 2016
ContributorH. S. P. Müller

Isothiocyanic acid is a pseudolinear molecule with a large A rotational parameter – analogously to isocyanic acid, HNCO. The Hamiltonian is very slowly converging, in particular for the purely K-dependent terms. Moreover, at higher values of Ka, there is extensive vibration rotation interaction bewteen the ground vibrational state of HNCS and its three lowest excited vibrational states. Because of this and because only transitions up to Ka = 1 have been observed in the interstellar medium, only levels up to Ka = 2 were considered in the present calculation.
Data were taken from
(1) L. B. Szalanski, M. C. L. Gerry, G. Winnewisser, K. M. T. Yamada, and M. Winnewisser, 1978, Can. J. Phys. 56, 1297.
The predictions should be quite good up to about 400 GHz.
The partition function takes into account higher Ka values.
The 14N hyperfine splitting is reasonably similar to that of HNCS.
The a-dipole moment component was mentioned in (1).
A seperate entry is given for the b-type transitions.

Lines Listed486
Frequency / GHz< 1000
Max. J91
log STR0-11.0
log STR1-5.5
Isotope Corr.-3.836
Egy / cm–10.0
 µa / D1.64
 µb / D(1.0)
 µc / D 
 A / MHz706294.
 B / MHz5500.44
 C / MHz5445.22
 Q(300.0)6531.6790
 Q(225.0)4193.2771
 Q(150.0)2241.4030
 Q(75.00)773.7098
 Q(37.50)270.2902
 Q(18.75)96.0508
 Q(9.375)38.0753
 Q(5.000)19.4222
 Q(2.725)10.7149
detected in ISM/CSMno


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