HCCNC
Ethynyl isocyanide, isocyanoethyne, isocyanoacetylene
Species tag 051531
Version1*
Date of EntryApr. 2024
ContributorH. S. P. Müller

The millimeter spectrum was reported in
(1) A. Guarnieri, R. Hinze, M. Krüger, H. Zerbe-Foese, D. Lentz, and D. Preugschat, 1992, J. Mol. Spectrosc. 156, 39.
The ground state fundamental rotational transition with 14N hyperfine splitting was published in
(2) M. Krüger, W. Stahl, and H. Dreizler, 1993, J. Mol. Spectrosc. 158, 298.
The 14N nuclear spin-rotation parameter was kept fixed to the value from a quantum-chemical calculation by
(3) H. S. P. Müller, 2020, unpublished.
One line of (1) with large residual was omitted. The sextic distortion parameter H was not used in the fit; its omission may affect transition frequencies above about 500 GHz. The calculation may be accurate enough throughout.
14N hyperfine splitting matters in some astronomical observations. Therefore, a separate hyperfine calculation is provided for J' ≤ 12 below 120 GHz. NOTE: The partition function does take into account the spin multiplicity of the 14N nucleus !
The experimental dipole moment was published by
(4) M. Krüger, H. Dreizler, D. Preugschat, and D. Lentz, 1991, Angew. Chem. 103, 1674.

Lines Listed72
Frequency / GHz< 720
Max. J72
log STR0-6.0
log STR1-2.5
Isotope Corr. 
Egy / cm–10.0
 µa / D 
 µb / D2.93
 µc / D 
 A / MHz 
 B / MHz4967.838
 C / MHz 
 Q(300.0)3777.0647
 Q(225.0)2832.8234
 Q(150.0)1888.7324
 Q(75.00)944.7917
 Q(37.50)472.8781
 Q(18.75)236.9363
 Q(9.375)118.9708
 Q(5.000)63.9244
 Q(2.725)35.3062
detected in ISM/CSMyes


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