NaCCH
Sodium acetylide, X 1Σ+
Species tag 048505
Version2*
Date of EntryOct. 2011
ContributorH. S. P. Müller

The lines have been reported by
(1) M. A. Brewster, A. J. Apponi, J. Xin, and L. M. Ziurys, 1999, Chem. Phys. Lett. 310, 411.
With respect to the initial entry from Nov. 2000, additional microwave transitions with resolved 23Na hyperfine splitting have been used in the calculation. These were reported by
(2) P. M. Sheridan, M. K. L. Binns, M. Sun, J. Min, M. P. Bucchino, D. T. Halfen, L. M. Ziurys, 2011, J. Mol. Spectrosc. 269, 231.
The stated uncertainties in (1, 2) appear to be too conservative; smaller values have been employed here. Predictions may be reliable up to 600 GHz.
A separate prediction with 23Na hyperfine splitting is available for J" ≤ 5. Note: The partition function does not include the spin-multiplicities of 23Na ! Therefore, partition function values have to be multiplied by 4 when considering 23Na hyperfine splitting !
The dipole moment is from an ab initio calculation by
(3) H. S. P. Müller, 2011, unpublished.

Lines Listed99
Frequency / GHz< 883
Max. J99
log STR0-4.7
log STR1-2.7
Isotope Corr.-0.0
Egy / cm–10.0
 µa / D7.58
 µb / D 
 µc / D 
 A / MHz 
 B / MHz4510.124
 C / MHz 
 Q(300.0)1388.7280
 Q(225.0)1041.1778
 Q(150.0)693.9289
 Q(75.00)346.9808
 Q(37.50)173.6197
 Q(18.75)86.9677
 Q(9.375)43.6493
detected in ISM/CSMno


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