NC4NH+
protonated butynedinitrile, X 1Σ+
Species tag 077515
Version1*
Date of EntryDec. 2022
ContributorH. S. P. Müller

The transition frequencies are from astronomical observations by
(1) M. Agúndez, C. Cabezas, N. Marcelino, R. Fuentetaja, B. Tercero, P. de Vicente, and J. Cernicharo, 2022, Astron. Astrophys. 669, Art. No. L1.
Hyperfine parameters were evaluated via a quantum-chemical calculation by
(2) H. S. P. Müller, 2022, unpublished.
The calculations should be sufficient for observations in cold sources. They should be viewed with some caution beyond 90 GHz.
14N hyperfine splitting can be resolved at low quantum numbers. Therefore, a separate calculation with 14N hyperfine splitting is provided up to J' = 5.
The hyperfine frequencies should be viewed with some caution throughout. The partition function includes the spin-multiplicity of two N nuclei even if the splitting of the inner N is probably very difficult to resolve.
The dipole moment is from a quantum-chemical calculation in (1).

Lines Listed46
Frequency / GHz< 120
Max. J46
log STR0-6.3
log STR1-2.7
Isotope Corr. 
Egy / (cm–1)0.0
 µa / D9.1
 µb / D 
 µc / D 
 A 
 B1293.908
 C 
 Q(300.0)43491.9906
 Q(225.0)32618.0005
 Q(150.0)21745.1723
 Q(75.00)10873.5059
 Q(37.50)5438.1086
 Q(18.75)2720.5195
 Q(9.375)1361.7537
 Q(5.000)727.6717
 Q(2.725)397.9551
detected in ISM/CSMyes


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