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The CC bond of the molecule has double bond
character. Therefore, the molecule is better
viewed as chloroethenylidenyl or chlorovinylidenyl
rather than chloroethynyl. It is probably slightly
non-linear; the structure originates from strong
vibronic interaction between a 2Σ
and a 2Π state only slightly higher
in energy. Several components of the two lowest
rotational transitions have been reported
by
(1) Y. Sumiyoshi, T. Ueno, and Y. Endo,
2003, J. Chem. Phys. 119, 1426.
These levels are well described by a
2Σ Hamiltonian. No reliable
information is available on higher K
levels.
Predictions may be sufficiently reliable up
to about 100 GHz.
The ab initio a-dipole moment component
was assumed to agree with that of the main
isotopolog, see e059506.cat.
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