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The observed lines are from
(1) W. Chen, J.-U. Grabow, M. J. Travers, M. R. Munrow,
S. E. Novick,M. C. McCarthy, and P. Thaddeus,
1998, J. Mol. Spectrosc. 192, 1.
The purely K-dependent parameters (A and DK),
needed to obtain reasonable intensities, were taken from
CH3CN;
(2) R. Antilla, V.-M. Hornemann, M. Koivusaari, and R. Paso,
1993, J. Mol. Spectrosc., 157, 198.
Predictions have been
truncated at K = 6. Nevertheless, predictions at higher
J and K should be viewed with great caution.
Quadrupole splitting due to the 14N nucleus may
be resolvable for low J.
Therefore, a separate
hyperfine calculation is provided with J' up to 12 and
Ka up to 3 along with
partition function values.
Please note: the
entry has been reevaluated April 2013 to resolve minor
issues.
The dipole moment is an estimate.
At low temperatures, it may be necessary to discern between
A-CH3C7N and E-CH3C7N.
The A states are described by K = 3n,
the E states by K = 3n ± 1.
The nuclear spin-weight ratio is 2 : 1 for
A-CH3C7N with
K > 0 and all other states, respectively. The
JK = 11 state is the lowest
E state. It is 5.2860 cm–1 above ground.
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