c-C5H4C2H2
Ethenylidenecyclopentadiene, Fulvenallene
Species tag 090502
Version2*
Date of EntryJul. 2022
ContributorH. S. P. Müller

Transition frequencies were taken from
(1) T. Sakaizumi, F. Katoh, O. Ohashi, and I. Yamaguchi, 1993, J. Mol. Spectrosc. 159, 112;
and from
(2) M. C. McCarthy, K. L. K. Lee, P. B. Carroll, J. P. Porterfield, P. B. Changala, J. H. Thorpe, and J. F. Stanton, 2020, J. Phys. Chem. A 124, 5170.
The uncertainties in (2) were conservative and were adjusted from 2 to 1 kHz. Initial estimates of the quartic distortion parameters were taken from an B3LYP quantum-chemical calculation by
(3) H. S. P. Müller, 2021, unpublished.
With respect to the first entry of Nov. 2021, additional transition frequencies were added from astronomical observations by
(4) J. Cernicharo, R. Fuentetaja, M. Agúndez, R. I. Kaiser, Cabezas, N. Marcelino, B. Tercero, J. R. Pardo, and P. de Vicente, 2022, Astron. Astrophys., in press.
One transition frequency with large residual was omitted from the line list. The data set is still somewhat limited. The calculations were therefore truncated at 200 GHz and at J = 60. The calculations should be sufficient for searches in cold and luke warm environments. Transition frequencies with calculated uncertainties exceeding 0.1 MHz should be viewed with caution. Some caution is also advised for transitions with J larger than 30.
Spin-statistical weight ratios of 9 : 7 for levels with Ka being odd and even, respectively, have been taken into account.
The dipole moment is from (1).

Lines Listed3777
Frequency / GHz< 200
Max. J60
log STR0-11.7
log STR1-6.5
Isotope Corr. 
Egy / (cm–1)0.0
 µa / D0.69
 µb / D 
 µc / D 
 A / MHz8180.7
 B / MHz1886.672
 C / MHz1549.114
 Q(300.0)1434829.1809
 Q(225.0)931724.7743
 Q(150.0)507058.8721
 Q(75.00)179254.0535
 Q(37.50)63388.3558
 Q(18.75)22424.4938
 Q(9.375)7938.4895
 Q(5.000)3099.1047
 Q(2.725)1252.0828
detected in ISM/CSMyes


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