H2CNCN
N-Cyanomethanimine
Species tag 054514
Version1*
Date of EntryFeb. 2014
ContributorH. S. P. Müller

The experimental data were taken from
(1) M. Winnewisser, B. P. Winnewisser, and C. Wentrup, 1984, J. Mol. Spectrosc., 105, 193.
Additional data with extensive 14N hyperfine splitting were obtained in the context of
(2) W. H. Stolze, D. H. Sutter, and C. Wentrup,
1989, Z. Naturforsch., 44A, 291
.
Data of two of the four rotational transitions were used because for the other two the frequencies were apparently less certain than the HFS splitting. The HFS structure is sufficiently well contrained. Also used in the fit were data from
(3) B. Bak and H. Svanholt, 1980, Chem. Phys. Lett., 75, 528.
Predictions are probably accurate enough for astronomical observations. They should be viewed with caution once the predicted uncertainties exceed 0.5 MHz.
The 14N hyperfine splitting may be resolved in astronomical observations. Therefore, a separate hyperfine calculation is provided up to J" = 18, Ka" = 6, and up to 260 GHz along with appropriate partition function values.
The a dipole moment component was determined in
(4) B. Bak, O. J. Nielsen, and H. Svanholt, 1978, Chem. Phys. Lett., 59, 330;
the b component was estimated in (3).

Lines Listed8243
Frequency / GHz< 1000
Max. J99
log STR0-8.5
log STR1-5.5
Isotope Corr.-0.0
Egy / (cm–1)0.0
 µa / D4.6
 µb / D1.5
 µc / D 
 A63373.0
 B5449.348
 C5009.560
 Q(300.0)21198.6282
 Q(225.0)13749.2879
 Q(150.0)7473.8923
 Q(75.00)2639.6496
 Q(37.50)933.5067
 Q(18.75)330.6188
 Q(9.375)117.3708
 Q(5.000)46.0569
 Q(2.725)18.7885
detected in ISM/CSMyes


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