HC213CC6N
Cyanooctatetrayne, Cyanotetraacetylene, 13C on C7
Species tag 124504
Version1*
Date of EntryJuly 2020
ContributorH. S. P. Müller

The experimental lines were taken from
(1) M. C. McCarthy, E. S. Levine, A. J. Apponi, and P. Thaddeus, 2000, J. Mol. Spectrosc. 203, 75.
The number of transition frequencies is too small to determine D reliably. Therefore, it was estimated from the main isotopolog. The calculated frequencies should be viewed with caution above 25 GHz. Values for eQq and C were evaluated upon comparison with experimental and quantum chemically derived values of other HCxN molecules presented in
(2) T. F. Giesen, M. E. Harding, J. Gauss, J.-U. Grabow, and H. S. P. Müller, 2020, J. Mol. Spectrosc. 371, Art. No. 111303.
The 14N hyperfine splitting may be resolved in the ISM at low values of J. Therefore, separate calculations with 14N hyperfine splitting are available for J" < 10. The partition function takes into account the hyperfine splitting, but no vibrational contributions !
The dipole moment was assumed to agree with that of the main isotopic species calculated by
(3) P. Botschwina and M. Horn, 1997, J. Mol. Spectrosc. 185, 191.

Lines Listed173
Frequency / GHz< 100
Max. J173
log STR0-9.0
log STR1-3.5
Isotope Corr. 
Egy / cm–10.0
 µa / D5.20
 µb / D 
 µc / D 
 A / MHz 
 B / MHz288.8094
 C / MHz 
 Q(300.0)64940.6872
 Q(225.0)48704.4845
 Q(150.0)32468.9620
 Q(75.00)16234.4657
 Q(37.50)8117.6041
 Q(18.75)4059.2699
 Q(9.375)2030.1271
 Q(5.000)1083.1995
 Q(2.725)590.7989
detected in ISM/CSMno


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