SiC2 is a cyclic molecule with a fairly low barrier
to linearity which is probably responsible for the large
centrifugal distortion effects, especially in excited
vibrational states involving excitation of v3.
The v3 mode can be considered as asymmetric
SiCC bending motion or as the C2 internal rotation
motion. Ka odd are permitted only
in contrast to Ka even for the ground
vibrational state. This is because of the different vibrational
symmetry.
The v3 = 3 transition frequencies have
been estimated from lower v data.
The combined fit is described in
(1) R. C. Fortenberry, T. J. Lee, and H. S. P. Müller,
2015, Mol. Astrophys., 1, 13.
The recently extended set of ground state transition
frequencies was summarized in
(2) H. S. P. Müller, J. Cernicharo,
M. Agúndez, L. Decin, P. Encrenaz,
J. C. Pearson, D. Teyssier, and L. B. F. M. Waters,
2012, J. Mol. Spectrosc., 271 50;
further details can be found there or in the
ground state documentation e052527.cat.
Transitions for v3 = 1 and 2
come mainly from
(3) M. Izuha, S. Yamamoto, and S. Saito,
1994, Spectrochim. Acta A, 50, 1371.
Additional v3 = 1 data were
taken from
(4) M. Bogey, C. Demuynck, J. L. Destombes, and A. D. Walters,
1991, Astron. Astrophys., 247, L13.
The predictions have been truncated at 400 GHz and
at Ka = 9. All predictions
should be viewed with great caution. It is conceivable
that predictions involving low values of J or
Ka are quite reasonable.
The dipole moment was assumed to agree with that in the ground
vibrational state, see e052527.cat; it is possible that this assumption
is not as good as usually !
NOTE: The partition function takes
into account the ground vibrational state only. However,
contributions of excited vibrational states to
the partitionfunction are available. For corrections
much higher than 200 K, a
list of vibrational energies is also available.
|