1-CN-2-CCH-C6H4
o-Cyanoethynylbenzene
Species tag 127503
Version1*
Date of EntryMar. 2023
ContributorH. S. P. Müller

The transition frequencies were reported by
(1) J.-T. Spaniol, K. L. K. Lee, O. Pirali, C. Puzzarini, and M.-A. Martin-Drumel, 2023, Phys. Chem. Chem. Phys., 25, 6397
.
The transition frequencies should be sufficiently accurate for all observational purposes. Transitions with calculated uncertainites exceeding 0.2 MHz should be viewed with some caution.
14N hyperfine parameters were not determined experimentally, but may be estimated fairly accurately.
The dipole moment is from a quantum-chemical calculation in
(2) Z. Buchanan, K. L. K. Lee, O. Chitarra, M. C. McCarthy, O. Pirali, and M.-A. Martin-Drumel, 2021, J. Mol. Spectrosc., 377, Art. No. 111425
.

Lines Listed104614
Frequency / GHz< 400
Max. J241
log STR0-9.0
log STR1-5.5
Isotope Corr. 
Egy / (cm–1)0.0
 µa / D3.94
 µb / D2.32
 µc / D 
 A / MHz2027.441
 B / MHz1329.456
 C / MHz802.669
 Q(300.0)596748.0855
 Q(225.0)387414.5346
 Q(150.0)210784.0577
 Q(75.00)74493.0704
 Q(37.50)26335.2875
 Q(18.75)9312.9701
 Q(9.375)3294.6862
 Q(5.000)1284.7568
 Q(2.725)518.0158
detected in ISM/CSMno


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