13CH313CN
Methyl cyanide, doubly substituted 13C species
Species tag 043513
Version2*
Date of EntryJan. 2026
ContributorH. S. P. Müller

The first entry of Dec. 2009 was improved considerably. The transition fequencies were summarized by
(1) H. S. P. Müller, A. Belloche, F. Lewen, and S. Schlemmer, 2026, ACS Earth Space Chem., accepted.
The line list includes new measurements employing a sample highly enriched in CH313CN. These are transitions with (partially) resolved 14N hyperfine structure (HFS) splitting between 53 and 179 GHz along with transitions without HFS spliiting between 160 and 927 GHz. Retained in the fit were data from
(2) H. S. P. Müller; B. J. Drouin, and J. C. Pearson, 2009, Astron. Astrophys. 506, 1487.
This work provides data between 249 and 1139 GHz obtained from samples in natural isotopic composition. The experimental line lists with hyperfine splitting as well as without hyperfine splitting can be accessed with source codes. The purely K-dependent terms A and DK were assumed to agree with those of the main isotopolog, see e041505.cat.
The transition frequencies should be viewed with caution if the calculated uncertainties exceed 0.1 MHz.
14N hyperfine splitting may be resolvable at low values of J and possibly at the highest K. Therefore, a calculation with hyperfine splitting is provided up to J' = 15 (268 GHz). Please note that the partition function does include now the spin-multiplicities of 14N !
The partition function values below refer to the ground vibrational state only. Vibrational correction factors have been derived in the harmonic approximation.
At low temperatures, it may be necessary to discern between A-13CH313CN and E-13CH313CN. The A state levels are described by K = 3n, those of E state by K = 3n ± 1. The nuclear spin-weight ratio is 2 : 1 for A-13CH313CN with K > 0 and all other states, respectively. The JK = 11 level is the lowest E state level. It is 5.5713 cm–1 above ground.
The dipole moment was assumed to agree with that of the main isotopolog, see e041505.cat.

Lines Listed1351
Frequency / GHz<2000
Max. J113
log STR0-8.7
log STR1-8.7
Isotope Corr. 
Egy / cm–10.0
 µa / D3.9220
 µb / D 
 µc / D 
 A / MHz158100.6
 B / MHz8927.281
 C / MHzB
 Q(500.0)67354.3695
 Q(300.0)31277.7236
 Q(225.0)20310.9523
 Q(150.0)11055.1484
 Q(75.00)3910.8117
 Q(37.50)1388.0740
 Q(18.75)507.8335
 Q(9.375)198.0466
 Q(5.000)88.0023
 Q(2.725)42.7012
detected in ISM/CSMyes


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