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Butatrienone is effectively a planar molecule with
C2v symmetry, but appears to be
non-planar in the hypothetical equilibrium structure.
Transitions were reported by
(1) R. D. Brown, R. F. C. Brown, F. W. Eastwood,
P. D. Godfrey, and D. McNaughton,
1979, J. Am. Chem. Soc. 101, 4705.
The parameter set differs slightly from that in (1).
The experimental line list is small. Overall,
the predictions may be sufficiently accurate
for the detection of the molecule in the cold ISM.
Caution is advised for predicted frequencies with
uncertainties larger than 0.2 MHz. Some caution
may be advisable for transitions with
Ka = 0 and great caution
for those with Ka = 5.
At low temperatures, it may be necessary to discern between
ortho-H2C4O
and para-H2C4O.
The ortho states are described by Ka odd,
the para states by Ka even.
The nuclear spin-weights are 3 and 1 for ortho-H2C4O
and para-H2C4O, respectively.
The JKaKc = 111
level is the lowest ortho level.
It is about 9.48 cm–1 above ground.
The dipole moment was determined in (1).
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