c-C6H4
o-Benzyne, o-Didehydrobenzene
Species tag 076503
Version1
Date of EntryFeb. 2004
ContributorsH. S. P. Müller
S. Thorwirth

The experimental data was taken from
(1) R. D. Brown, P. D. Godfrey, and M. Rodler, 1986, J. Am. Chem. Soc. 108, 1296, from
(2) E. G. Robertson, P. D. Godfrey, and D. McNaughton, 2003, J. Mol. Spectrosc. 217, 123,
and from
(3) S. G. Kukolich, C. Tanjaroon, M. C. McCarthy, and P. Thaddeus, 2003, J. Chem. Phys. 119, 4353.
Predictions for transitions with higher quantum numbers or at higher frequencies, in particular much above 100 GHz, should be viewed with caution.
The dipole moment was taken from an ab initiocalculation by
(4) E. Craka and D. Cremer, 1993, Chem. Phys. Lett. 216, 333 .
The nuclear spin-weight ratio is 5 : 3 for ortho-c-C6H4 : para-c-C6H4. The ortho states are described by Ka + Kc even, the para states by Ka + Kc odd.

Lines Listed11750
Frequency / GHz< 974
Max. J108
log STR0-9.0
log STR1-5.3
Isotope Corr.0.0
Egy / (cm-1)0.0
 µa / D 
 µb / D1.38
 µc / D 
 A / MHz6989.73
 B / MHz5706.80
 C / MHz3140.37
 Q(300.0)313341.0336
 Q(225.0)203499.3259
 Q(150.0)110763.4304
 Q(75.00)39166.8312
 Q(37.50)13855.6009
 Q(18.75)4905.0509
 Q(9.375)1738.8258
detected in ISM/CSMyes


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