CH2D13CN
Methyl cyanide, mono-deuterated species with 13C at C1
Species tag 043527
Version1*
Date of EntryMar. 2026
ContributorH. S. P. Müller

Transition frequencies were taken from
(1) M. Le Guennec, G. Wlodarczak, J. Burie, and J. Demaison, 1992, J. Mol. Spectrosc. 154, 305.
Scaled parameters from CH2DCN were taken as starting values, see e042511.cat, and many distortion parameters were kept fixed to these values. Transition frequencies with calculated uncertainties exceeding 0.1 MHz should be viewed with caution. Note: Non-trivial spin-statistics do not matter for this low symmetry (CS) isotopolog.
The a-dipole moment component was taken from CH2DCN, see e042511.cat; b-type transitions are too uncertain to be included in the entry.

Lines Listed1165
Frequency / GHz<720
Max. J41
log STR0-6.0
log STR1-5.0
Isotope Corr. 
Egy / cm–10.0
 µa / D3.9201
 µb / D(0.1225)
 µc / D 
 A / MHz~121064.
 B / MHz8752.81
 C / MHz8602.33
 Q(300.0)9195.5356
 Q(225.0)5970.9274
 Q(150.0)3249.7012
 Q(75.00)1149.4758
 Q(37.50)407.0496
 Q(18.75)144.4219
 Q(9.375)51.4311
 Q(5.000)20.2972
 Q(2.725)8.5167
detected in ISM/CSMno


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