CCC13CH
Butadiynyl, X 2Σ+, 13C on C4
Species tag 050510
Version2*
Date of EntryMar. 2020
ContributorH. S. P. Müller

The entry is a modification of the first entry from July 2001. The main change is a significantly larger dipole moment because of mixing between the two lowest electronic states. The value is much better than the ealier one, but should be taken with some caution. The experimental lines were taken from
(1) M. C. McCarthy, C. A. Gottlieb, P. Thaddeus, M. Horn, and P. Botschwina, 1995, J. Chem. Phys. 103, 7820; and from
(2) W. Chen, S. E. Novick, M. C. McCarthy, C. A. Gottlieb, and P. Thaddeus, 1995, J. Chem. Phys. 103, 7828
.
One line from (1) with large residuals was omitted from the line list. Transition frequencies with calculated uncertainties exceeding 0.2 MHz should be viewed with caution.
The ab initio dipole moment is assumed to be the same as for the main isotopomer (e049503.cat).
The 1H and 13C hyperfine splitting is important only for very low N quantum numbers.

Lines Listed461
Frequency / GHz< 500
Max. J54
log STR0-9.0
log STR1-4.5
Isotope Corr.-1.973
Egy / (cm–1)0.0
 µa / D2.1
 µb / D 
 µc / D 
 A / MHz 
 B / MHz4614.972
 C / MHz 
 Q(300.0)10843.7477
 Q(225.0)8132.5134
 Q(150.0)5421.9168
 Q(75.00)2711.9595
 Q(37.50)1357.2219
 Q(18.75)679.9156
 Q(9.375)341.2821
 Q(5.000)183.2647
 Q(2.725)101.1106
detected in ISM/CSMyes


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