HCC13CN, v5 = 1 / v7 = 3
Cyanoacetylene, Propynenitrile, 13C on C1, v5 = 1 / v7 = 3
Species tag 052526
Version1*
Date of EntryJan. 2006
ContributorH. S. P. Müller

The v5 = 1 experimental frequencies have been reported by
(1) P. D. Mallinson and R. L. de Zafra, 1978, Mol. Phys. 36, 827; and by
(2) S. Thorwirth, H. S. P. Müller, and G. Winnewisser, 2001, Phys. Chem. Chem. Phys. 3, 1236.
The v7 = 3 state is about 3.75 cm–1 lower than v5 = 1. Strong interactions occur between v5 = 1 and v7 = 3 for l = 1f in both states at J = 49; and for l = 1e at J = 58. The l = 1e substate is the one occuring generally at lower frequencies. The present parameter set differs slightly from the one in (2).
The state numbers 0 and 1 designate v5 = 1 and v7 = 3, respectively.
The 14N hyperfine splitting has not been considered in the present entry. Note: The partition function does not include vibrational contributions. However, information on vibrational contributions to the partition function is available.
The dipole moments were assumed to be the same as for the main species, v5 = 1 / v7 = 3, see e051508.cat.

Lines Listed592
Frequency / GHz< 896
Max. J99
log STR0-6.3
log STR1-4.7
Isotope Corr.-1.982
Egy / cm–1663 / 659
 µa / D3.6877 / 3.7041
 µb / D 
 µc / D 
 A / MHz 
 B / MHz4531.75 / 4572.73
 C / MHz 
 Q(500.0)2301.5635
 Q(300.0)1380.7674
 Q(225.0)1035.5735
 Q(150.0)690.4365
 Q(75.00)345.3566
 Q(37.50)172.8381
 Q(18.75)86.5845
 Q(9.375)43.4597
detected in ISM/CSMno


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