NCCO+
Cyanooxomethylium
Species tag 054524
Version1*
Date of EntryDec. 2025
ContributorH. S. P. Müller

The transition frequencies were reported by
(1) M. Bast, J. Böing, T. Salomon, E. Plaar, I. Savić, M. Schäfer, O. Asvany, S. Schlemmer, and S. Thorwirth, 2025, J. Phys. Chem. A 129, 11136.
No 14N hyperfine splitting was resolved because of the high quantum numbers. The calculations should be sufficiently accurate throughout; some caution is advised above 550 GHz.
14N hyperfine splitting can be resolved at low quantum numbers. Therefore, a separate calculation with 14N hyperfine splitting is provided up to J" = 4. The partition function takes into account the spin-multiplicity of 14N.
The dipole moment is from a quantum chemical calculation in (1).

Lines Listed79
Frequency / GHz< 720
Max. J79
log STR0-6.3
log STR1-3.3
Isotope Corr. 
Egy / (cm–1)0.0
 µa / D1.62
 µb / D 
 µc / D 
 A 
 B4563.776
 C 
 Q(300.0)4111.5839
 Q(225.0)3083.6556
 Q(150.0)2055.9157
 Q(75.00)1028.3643
 Q(37.50)514.6595
 Q(18.75)257.8256
 Q(9.375)129.4149
 Q(5.000)69.4939
 Q(2.725)38.3406
detected in ISM/CSMno


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