H2CCH13CN, v = 0
Vinyl cyanide, propenenitrile, acrylonitrile, 13C on C1; v = 0
Species tag 054508
Version1*
Date of EntryMay 2008
ContributorH. S. P. Müller

The spectroscopic parameters and the experimental transition frequencies were published in
(1) H. S. P. Müller, A. Belloche, K. M. Menten, C. Comito, and P. Schilke, 2008, J. Mol. Spectrosc. 251 319
.
Besides from this work, the data originate from
(2) J. M. Colmont, G. Wlodarczak, D. Priem, H. S. P. Müller, E. H. Tien, R. J. Richards, and M. C. L. Gerry, 1997, J. Mol. Spectrosc. 181, 330
.
Data with experimental uncertainties larger than 200 kHz have not been merged.
Predictions with uncertainties exceeding about 1 MHz should be viewed with increasing caution.
14N hyperfine splitting may be resolved for low values of J. Therefore, a separate hyperfine calculation is provided for a-type R-branch transitions with J' ≤ 5 and frequencies below 50 GHz.
NOTE: The partition function does take into account the spin multiplicity gI = 3 of the 14N nucleus ! Furthermore, energy levels up to J = 170 and Ka = 50 have been considered in the calculation of the partition function. This is sufficient up to 300 K. At higher temperatures classical extrapolations are recommended. The partition function does not include contributions from low-lying vibrational modes. Estimates for these corrections are available for the main isotopic species, see e053515.cat.
The dipole moment was assumed to agree with that of the main isotopic species, see e053515.cat.

Lines Listed13700
Frequency / GHz< 1200
Max. J127
log STR0-7.0
log STR1-6.5
Isotope Corr.-1.9817
Egy / cm–10.0
 µa / D3.815
 µb / D0.894
 µc / D 
 A / MHz49799.6
 B / MHz4948.37
 C / MHz4494.65
 Q(300.0)79364.3722
 Q(225.0)51491.4551
 Q(150.0)27999.2342
 Q(75.00)9891.9786
 Q(37.50)3498.5657
 Q(18.75)1238.9299
 Q(9.375)439.6509
detected in ISM/CSMyes


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