HCC13CN, (0,0,1,1)
Cyanoacetylene, Propynenitrile, 13C on C1, v6 = v7 = 1
Species tag 052533
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 parameter lJL was kept fixed to the value determined for the main isotopic species.
Mar. 2012: The individual states have been set up differently to describe the parity of the state l = 2 correctly. Now state number 0 refers to l = 0+, state number 1 to l = 0, and state number 2 to l = 2. Version number and date of entry have been retained.
As can be seen in (1), the Hamiltonian converges slowly. This is probably caused by the rotational interaction with v7 = 3. Predictions should be viewed with caution above 800 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 e051505.cat.

Lines Listed424
Frequency / GHz973
Max. J107
log STR0-7.0
log STR1-5.3
Isotope Corr.-1.982
Egy / cm–1709
 µa / D3.7171
 µb / D 
 µc / D 
 A / MHz 
 B / MHz4553.47
 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