c-C5H4CH2
Fulvene, Methylenecyclopentadiene
Species tag 078509
Version1*
Date of EntryNov. 2021
ContributorH. S. P. Müller

Fulvene is a cyclic isomer of benzene. Transition frequencies were taken from
(1) 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.
One transition frequency with large residuals was omitted from the fit. An estimate of DK was taken from a coupled cluster quantum-chemical calculation by
(2) S. Thorwirth, 2021, unpublished.
The data set is rather limited. The calculations were therefore truncated at 160 GHz and at J = 30. The calculations should be sufficient for searches in cold environments. Transition frequencies with calculated uncertainties exceeding 0.2 MHz should be viewed with caution as should be those having ΔKa = 2.
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
(3) P. A. Baron, R. D. Brown, F. R. Burden, P. J. Domaille, and J. E. Kent, 1972, J. Mol. Spectrosc. 43, 401.

Lines Listed946
Frequency / GHz< 160
Max. J30
log STR0-11.0
log STR1-6.5
Isotope Corr. 
Egy / (cm–1)0.0
 µa / D0.4326
 µb / D 
 µc / D 
 A / MHz8186.18
 B / MHz3802.743
 C / MHz2596.440
 Q(300.0)780116.2157
 Q(225.0)506638.7303
 Q(150.0)275758.4162
 Q(75.00)97505.9932
 Q(37.50)34489.7962
 Q(18.75)12207.0053
 Q(9.375)4325.3342
 Q(5.000)1691.2414
 Q(2.725)685.2319
detected in ISM/CSMno


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