HCC13CN, (1,0,0,1)
Cyanoacetylene, Propynenitrile, 13C on C1, v4 = v7 = 1
Species tag 052535
Version1*
Date of EntryNov. 2011
ContributorH. S. P. Müller

The experimental frequencies have been reported by
(1) S. Thorwirth, H. S. P. Müller, and G. Winnewisser, 2001, Phys. Chem. Chem. Phys. 3, 1236.
The uncertainties in (1) 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, probably the most by (0021). 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 e051507.cat.

Lines Listed192
Frequency / GHz879
Max. J97
log STR0-7.0
log STR1-5.5
Isotope Corr.-1.982
Egy / cm–11098
 µa / D3.687
 µb / D 
 µc / D 
 A / MHz 
 B / MHz4538.8
 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