c-C13CH4O
Oxirane, ethylene oxide, oxa-cyclopropane; isotopolog with 13C
Species tag 045513
Version2*
Date of EntryMar. 2022
ContributorH. S. P. Müller

The very limited data set of the first entry from July 2012 was extended significantly by measurements between 164 and 1093 GHz by
(1) H. S. P. Müller, J. C. Guillemin, F. Lewen, and S. Schlemmer, 2022, J. Mol. Spectrosc. 384, Art. No. 111584.
The initial experimental data were taken from
(2) R. A. Creswell and R. H. Schwendemann, 1974, Chem. Phys. Lett. 27, 521.
Also used in the fit were microwave data from
(3) C. Hirose, 1974, Bull. Chem. Soc. Japan 47, 1311.
Uncertainties of data from (2) were increased to 20 kHz from 10 kHz because of the sizes of the average residuals. Three transitions with large residuals from (3) were omitted.
The calculation should be sufficiently accurate for all observational purposes. Calculated frequencies with uncertainties exceeding 0.1 MHz should be viewed with some caution.
Note: no non-trivial spin-statistics need to be considered for this low symmetry isotopolog. The rotation of the intertial axis sytem introduces a small a-dipole moment component.
The dipole moment components were derived from the main isotopolog and the structure both taken from
(4) G. L. Cunningham Jr., A. W. Boyd, R. J. Myers, W. D. Gwinn, and W. I. Le Van, 1951, J. Chem. Phys. 19, 676 ;
corrected by 0.02 D due to an updated reference value for OCS, see (1).

Lines Listed7210
Frequency / GHz< 1500
Max. J54
log STR0-9.0
log STR1-6.0
Isotope Corr. 
Egy / (cm–1)0.0
 µa / D0.17
 µb / D1.89
 µc / D 
 A / MHz25291.998
 B / MHz21597.975
 C / MHz13825.779
 Q(300.0)10103.1932
 Q(225.0)6561.1640
 Q(150.0)3571.7308
 Q(75.00)1264.1112
 Q(37.50)448.1301
 Q(18.75)159.3380
 Q(9.375)56.9864
 Q(5.000)22.6505
 Q(2.725)9.4526
detected in ISM/CSMno


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