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The experimental data were taken from
(1) D. T. Halfen and L. M. Ziurys,
2018, Phys. Chem. Chem. Phys. 20, 11047.
The cyclic molecule can be viewed as a C2
molecule somewhat loosely bound to an Al atom. Only
transitions with even Ka are allowed
because of symmetry. The spectroscopic parameters differ
somewhat from those in (1). The A rotational
parameter was taken from
(2) J. Yang, R. H. Judge, and D. J. Clouthier,
2011, J. Chem. Phys. 135, Art. No. 124302.
Only transitions with Ka = 0
were observed in (1). Therefore, transitions with
higher Ka cannot be predicted
reliably. In addition, redictions should be viewed
pwith caution above 130 GHz.
The dipole moment was taken from an ab initio
calculation in (2).
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