KCN, KNC
Potassium cyanide, potassium isocyanide
Species tag 065508
Version1*
Date of EntryApr. 2007
ContributorH. S. P. Müller

The molecule is nearly T-shaped with the KN bond slightly shorter than the KC bond. Therefore, the molecule should be considered more as potassium isocyanide rather than as potassium cyanide.
The experimental measurements were taken from
(1) P. Kuijpers, T. Törring, and A. Dymanus, 1976, Chem. Phys. Lett. 42, 423;
(2) T. Törring, J. P. Bekooy, W. L. Meerts, J. Hoeft, E. Tiemann, and A. Dymanus, 1980, J. Chem. Phys. 73, 4875;
(3) J. J. van Vaals, W. L. Meerts, and A. Dymanus, 1984, J. Mol. Spectrosc. 106, 280
.
The spectroscopic parameters used for the current predictions have been reported in
(4) J. H. He, D.-V. Trung, S. Kwok, H. S. P. Müller, T. Hasegawa, T. C. Peng, and Y. C. Huang, 2008, Astrophys. J. Suppl. Ser. 177, 275.
Transitions with uncertainties larger than 100 kHz have not been merged. The predictions should be fairly reliable as long as the predicted uncertainties do not exceed 1.0 MHz.
While in the laboratory b-type transitions have been observed, their intensities are liekly very small because the b dipole moment component is about 1.5 orders of magnitude smaller than the a component; hence, transitions will be about three orders of magnitude weaker.
Hyperfine structure splitting caused by the 14N nucleus or the 39K nucleus are not of relevance for astronomical observations.
The ab initio dipole moment was taken from
(5) H. S. P. Müller, unpublished.

Lines Listed3363
Frequency / GHz< 898
Max. J98
log STR0-7.3
log STR1-3.7
Isotope Corr.-0.0
Egy / (cm-1)0.0
 µa / D9.96
 µb / D 
 µc / D 
 A / MHz58265.83
 B / MHz4939.671
 C / MHz4535.832
 Q(300.0)24476.4959
 Q(225.0)15861.8373
 Q(150.0)8615.3638
 Q(75.00)3040.4331
 Q(37.50)1074.7637
 Q(18.75)380.5066
 Q(9.375)135.0149
detected in ISM/CSMyes


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