OC(CN)2
Carbonyl cyanide
Species tag 080506
Version1*
Date of EntryAug. 2016
ContributorH. S. P. Müller

The experimental data were taken from
(1) R. M. Lees, 1971, Can. J. Phys., 49, 367;
and from
(2) S. B. Bteich, B. Tercero, J. Cernicharo, R. A. Motiyenko, L. Margulès, and J.-C. Guillemin, 2016, Astron. Astrophys., 592, Art. No. A43.
The uncertainties used for the data from (2) were those implicitely reported, which are smaller than the explicitely reported ones by a factor of 1.5.
Predictions with uncertainties exceeding 0.3 MHz should be viewed with caution. Carbonyl nitrile is rather heavy and has a low volatility. Therefore, we expect predictions to be sufficient for astronomical searches at present. Spin-statistics of 1 : 2 have been considered for transitions with Ka + Kc being odd and even, respectively.
The partition function refers to the ground state only. Vibrational correction factors will be provided.
14N hyperfine splitting may be resolvable at low values of J and possibly at the highest K. Therefore, predictions with hyperfine splitting have been provided up to J = 10 and up to 120 GHz; along with appropriate partition function values.
The dipole moment was determined in (1).

Lines Listed27046
Frequency / GHz< 700
Max. J160
log STR0-9.5
log STR1-7.0
Isotope Corr.-0.0
Egy / (cm–1)0.0
 µa / D 
 µb / D0.704
 µc / D 
 A6761.196
 B2924.679
 C2037.982
 Q(300.0)207858.7143
 Q(225.0)134876.4381
 Q(150.0)73347.7426
 Q(75.00)25911.2271
 Q(37.50)9160.2245
 Q(18.75)3240.6027
 Q(9.375)1147.5742
 Q(5.000)448.3107
 Q(2.725)181.3600
detected in ISM/CSMno


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