C2H3CN, v = 0
Vinyl cyanide, propenenitrile, acrylonitrile, v = 0
Species tag 053515
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) M. C. L. Gerry and G. Winnewisser, 1973, J. Mol. Spectrosc. 48, 1;
(3) J. Demaison, A. Bouchy, G. Roussy, and J. Barriol, 1973, Compt. Rend. 276C, 967;
(4) M. Stolze and D. H. Sutter, 1985, Z. Naturforsch. 40a, 998;
(5) G. Cazzoli and Z. Kisiel, 1988, J. Mol. Spectrosc. 130, 303;
(6) J. Demaison, J. Cosléou, R. Bocquet, and A. G. Lesarri, 1994, J. Mol. Spectrosc. 167, 400;
(7) O. I. Baskakov, S. F. Dyubko, V. V. Ilyushin, M. N. Efimenko, V. A. Efremov, S. V. Podnos, and E. A. Alekseev, 1996, J. Mol. Spectrosc. 179, 94
;
and from
(8) 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 50 and 100 kHz have not been merged for transition frequencies below and above 200 GHz, respectively.
Predictions with uncertainties exceeding 1 MHz by a significant amount 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 J' ≤ 10 and frequencies below 100 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 also includes contributions from low-lying vibrational modes. Partition function values for only the ground vibrational state are given in parentheses.
The dipole moment was taken from (4).

Lines Listed18561
Frequency / GHz< 2000
Max. J140
log STR0-7.7
log STR1-7.0
Isotope Corr.-0.0
Egy / cm–10.0
 µa / D3.815
 µb / D0.894
 µc / D 
 A / MHz49850.697
 B / MHz4971.164
 C / MHz4513.877
 Q(300.0)144388.7445 (78985.9246)
 Q(225.0)75261.8534 (51243.8472)
 Q(200.0)58375.8792 (42929.0725)
 Q(180.0)46878.0452 (36642.7870)
 Q(160.0)37031.4104 (30699.9321)
 Q(150.0)32682.3980 (27863.4740)
 Q(140.0)28690.2307 (25120.7776)
 Q(120.0)21693.5386 (19929.9161)
 Q(100.0)15870.8448 (15175.9607)
 Q(75.00)9982.9176 (9843.6324)
 Q(37.50)3481.9456 (3481.4097)
 Q(18.75)1232.8520 (1232.8520)
 Q(9.375)437.4991 (437.4991)
detected in ISM/CSMyes


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