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.
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