c-C5H4O
Cyclopropadienone
Species tag 080507
Version1*
Date of EntryNov. 2021
ContributorH. S. P. Müller

Transition frequencies were taken from
(1) M. C. McCarthy, K. L. K. Lee, P. B. Carroll, J. P. Porterfield, P. B. Changala, J. H. Thorpe, and J. F. Stanton, 2020, J. Phys. Chem. A 124, 5170.
One typographical error in one transition frequency was correct. The uncertainties were conservative and were adjusted from 2 to 1 kHz. Initial estimates of the quartic distortion parameters were taken from a B3LYP calculation by
(2) H. S. P. Müller, 2021, unpublished.
The data set is rather limited. The calculations were therefore truncated at 200 GHz and at J = 50. The calculations should be sufficient for searches in cold environments. Transition frequencies with calculated uncertainties exceeding 0.1 MHz should be viewed with caution. Some caution is advised for transitions with J larger than 20.
Spin-statistical weight ratios of 5 : 3 for levels with Ka being even and odd, respectively, have been taken into account.
The dipole moment is from
(3) P. A. Baron and R. D. Brown, 1973, Chem. Phys. 1, 444.

Lines Listed2533
Frequency / GHz< 200
Max. J50
log STR0-9.0
log STR1-6.0
Isotope Corr. 
Egy / (cm–1)0.0
 µa / D3.132
 µb / D 
 µc / D 
 A / MHz8152.163
 B / MHz3939.550
 C / MHz2655.799
 Q(300.0)379726.6070
 Q(225.0)246607.1737
 Q(150.0)134224.6116
 Q(75.00)47460.5308
 Q(37.50)16787.8466
 Q(18.75)5941.8723
 Q(9.375)2105.5005
 Q(5.000)823.3413
 Q(2.725)333.6429
detected in ISM/CSMno


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