HCCO
Ketenyl, X 2A"
Species tag 041506
Version1*
Date of EntryJuly 2012
ContributorH. S. P. Müller

Ketenyl is a planar molecule with a low barrier to linearity, i.e. it is quasilinear. The fine structure splitting is rather difficult to model, such that only Ka = 0 data were considered in the present calculation. The lines were taken from
(1) Y. Endo and E. Hirota, 1987, J. Chem. Phys. 86, 4319.
The N = 1 – 0 transition was recorded with resolved hyperfine structure by
(2) Y. Ohshima and Y. Endo, 1993, J. Mol. Spectrosc. 159, 458.
Transitions above 700 GHz should be viewed with caution.
The ab initio dipole moment was reported by
(3) P. G. Szalay, G. Fogarasi, L. Nemes, 1996, Chem. Phys. Lett. 263, 91. Only the total dipole moment was given, but it is expected to be only marginally larger than the a component. The b component is very much smaller, and the origin of corresponding transitions is near 1.2 THz with a large uncertainty of several tens of gigahertz.

Lines Listed348
Frequency / GHz< 1500
Max. J69
log STR0-7.0
log STR1-5.0
Isotope Corr.0.0
Egy / cm–10.0
 µa / D1.59
 µb / D 
 µc / D 
 A / MHz 
 B / MHz10831.37
 C / MHz 
 Q(300.0)2310.8869
 Q(225.0)1733.2932
 Q(150.0)1155.8359
 Q(75.00)578.5155
 Q(37.50)289.9077
 Q(18.75)145.6193
 Q(9.375)73.4839
 Q(5.000)39.8312
 Q(2.725)22.3495
detected in ISM/CSMyes


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