AlCCH
Aliminum acetylide, X 1Σ+
Species tag 052536
Version1*
Date of EntrySep. 2012
ContributorH. S. P. Müller

The transition frequencies have been reported by
(1) M. Sun, D. T. Halfen, J. Min, D. J. Clouthier, and L. M. Ziurys, 2012, Chem. Phys. Lett. 553, 11.
The lowest two transitions were also reported by
(2) C. Cabezas, S. Mata, A. M. Daly, A. Martín, J. L. Alonso, and J. Cernicharo 2012, J. Mol. Spectrosc. 278, 31.
The sextic distortion parameter H was not determined in (1), as its uncertainty was not much smaller than the value. Nevertheless, its value appears to be fairly reasonable, and it was retained here. As a consequence, predictions are probably reliable only up to about 400 GHz or slighly higher.
A separate prediction with 27Al hyperfine splitting is available for J' ≤ 12. Note: The partition function does not include the spin-multiplicities of 27Al ! Therefore, partition function values have to be multiplied by 6 when considering 27Al hyperfine splitting !
The dipole moment from an ab initio calculation was mentioned in (2).

Lines Listed101
Frequency / GHz< 674
Max. J101
log STR0-7.0
log STR1-5.3
Isotope Corr.-0.0
Egy / cm–10.0
 µa / D0.6
 µb / D 
 µc / D 
 A / MHz 
 B / MHz4976.086
 C / MHz 
 Q(300.0)1257.9209
 Q(225.0)943.2650
 Q(150.0)628.7814
 Q(75.00)314.4709
 Q(37.50)157.3808
 Q(18.75)78.8523
 Q(9.375)39.5927
detected in ISM/CSMno


Database maintained by Holger S. P. Müller and Sven Thorwirth, programming by D. Roth and F. Schlöder