DCCNC
Ethynyl isocyanide, isocyanoethyne, isocyanoacetylene; deuterated isotopolog
Species tag 052540
Version1*
Date of EntryApr. 2024
ContributorH. S. P. Müller

The millimeter spectrum was reported in
(1) A. Huckauf, A. Guarnieri, D. Lentz, and A. Fayt, 1998, J. Mol. Spectrosc. 188, 109.
The ground state fundamental rotational transition with 14N and D hyperfine splitting was published in
(2) M. Krüger, W. Stahl, and H. Dreizler, 1993, J. Mol. Spectrosc. 158, 298.
The 14N and D nuclear spin-rotation parameters were kept fixed to the value from a quantum-chemical calculation, and the nuclear spin-nuclear spin coupling parameter was kept fixed to the values calculated from the structure by
(3) H. S. P. Müller, 2020, unpublished.
The calculation may be accurate enough throughout.
14N and possibly D hyperfine splitting matter in some astronomical observations. Therefore, a separate hyperfine calculation is provided for J' ≤ 5 below 46 GHz. NOTE: The partition function does take into account the spin multiplicity of the 14N and D nuclei !
The experimental dipole moment of HCCNC was published by
(4) M. Krüger, H. Dreizler, D. Preugschat, and D. Lentz, 1991, Angew. Chem. 103, 1674.

Lines Listed78
Frequency / GHz< 720
Max. J78
log STR0-6.3
log STR1-2.5
Isotope Corr. 
Egy / cm–10.0
 µa / D 
 µb / D2.93
 µc / D 
 A / MHz 
 B / MHz4598.289
 C / MHz 
 Q(300.0)12241.4614
 Q(225.0)9181.1432
 Q(150.0)6121.2941
 Q(75.00)3061.9143
 Q(37.50)1532.4013
 Q(18.75)767.6913
 Q(9.375)385.3526
 Q(5.000)206.9396
 Q(2.725)114.1816
detected in ISM/CSMyes


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