DC13CCN
Cyanoacetylene, Propynenitrile; deuterated isotopolog with 13C on C2
Species tag 053512
Version1*
Date of EntryMar. 2008
ContributorH. S. P. Müller

The experimental frequencies have been summarized in
(1) H. Spahn, H. S. P. Müller, T. F. Giesen, J.-U. Grabow, M. E. Harding, J. Gauss, and S. Schlemmer, 2008, Chem. Phys. 346, 132.
The predictions should be reliable throughout.
At low values of J, 14N hyperfine splitting is resolvable. Therefore, a separate prediction considering 14N hyperfine splitting with J" ≤ 2 is available. Note: The partition function does not include the spin-multiplicities of 14N ! Therefore, partition function values have to be multiplied by 3 when considering 14N hyperfine splitting !
The dipole moment was assumed to agree with that of DC3N, see e052508.cat.
Lines Listed128
Frequency / GHz<1074
Max. J128
log STR0-5.5
log STR1-5.0
Isotope Corr.-5.92
Egy / cm-10.0
 µa / D3.7408
 µb / D 
 µc / D 
 A / MHz 
 B / MHz4207.555
 C / MHz 
 Q(300.0)1486.4600
 Q(225.0)1114.8397
 Q(150.0)743.2786
 Q(75.00)371.7766
 Q(37.50)186.0478
 Q(18.75)93.1893
 Q(9.375)46.7619
detected in ISM/CSMyes

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