bc-C4H4C2H2
Dewar benzene, Bicyclo[2.2.0]hexadiene
Species tag 078511
Version1*
Date of EntryNov. 2021
ContributorH. S. P. Müller

Dewar benzene is a polycyclic isomer of benzene. Transition frequencies were taken from
(1) D. W. T. Griffith and J. E. Kent, 1974, Chem. Phys. Lett. 25, 290.
Estimates of the quartic distortion parameters were taken from an MP2 quantum-chemical calculation by
(2) H. S. P. Müller, 2021, unpublished.
The data set is very limited. The calculations were therefore truncated at 120 GHz and at J = 40. The calculations may be sufficient for searches in cold environments. Transition frequencies with calculated uncertainties exceeding 0.1 MHz should be viewed with caution.
Spin-statistical weight ratios of 9 : 7 for levels with Kc being odd and even, respectively, have been taken into account.
The dipole moment is from (1).

Lines Listed1102
Frequency / GHz< 120
Max. J40
log STR0-12.0
log STR1-8.3
Isotope Corr. 
Egy / (cm–1)0.0
 µa / D 
 µb / D 
 µc / D0.044
 A / MHz7770.42
 B / MHz4479.32
 C / MHz3488.97
 Q(300.0)636625.4076
 Q(225.0)413430.4617
 Q(150.0)225018.4885
 Q(75.00)79566.3892
 Q(37.50)28147.9235
 Q(18.75)9965.5039
 Q(9.375)3533.3590
 Q(5.000)1383.1270
 Q(2.725)561.5167
detected in ISM/CSMno


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