HCC13CN, (1,0,0,0)
Cyanoacetylene, Propynenitrile, 13C on C1, v4 = 1
Species tag 052534
Version1*
Date of EntryNov. 2011
ContributorH. S. P. Müller

The experimental frequencies have been reported by
(1) P. D. Mallinson and R. L. de Zafra, 1978, Mol. Phys. 33, 827;
and by
(2) S. Thorwirth, H. S. P. Müller, and G. Winnewisser, 2001, Phys. Chem. Chem. Phys. 3, 1236.
The uncertainties in (2) are probably very conservative. Some parameters were kept fixed to values determined for the main isotopic species.
The state is perturbed by several other states, chiefly by v6 = 2. Predictions may be reliable up to around 350 GHz.
Vibrational contributions to the partition function of HCC13CN are also available.
The dipole moment was assumed to agree with that of the main isotopolog, see e051506.cat.

Lines Listed96
Frequency / GHz867
Max. J96
log STR0-7.3
log STR1-5.0
Isotope Corr.-1.982
Egy / cm–1880
 µa / D3.696
 µb / D 
 µc / D 
 A / MHz 
 B / MHz4524.1
 C / MHz 
 Q(500.0)2364.8860
 Q(300.0)1418.7542
 Q(225.0)1064.0616
 Q(150.0)709.4273
 Q(75.00)354.8514
 Q(37.50)177.5854
 Q(18.75)88.9581
 Q(9.375)44.6464
detected in ISM/CSMnot yet


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