1-CN-4-CCH-C6H4
p-Cyanoethynylbenzene
Species tag 127502
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 ΔKa = 2 should be viewed with some caution.
14N hyperfine parameters were not determined experimentally, but may be estimated fairly accurately.
Spin-statistics have been considered in the calculation of the intensities. They are 5 : 3 for transitions with even and odd Ka, respectively.
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 Listed28744
Frequency / GHz< 358
Max. J275
log STR0-9.5
log STR1-5.5
Isotope Corr. 
Egy / (cm–1)0.0
 µa / D4.28
 µb / D 
 µc / D 
 A / MHz5646.36
 B / MHz709.161
 C / MHz630.030
 Q(300.0)2207237.2786
 Q(225.0)1433491.5188
 Q(150.0)780216.5550
 Q(75.00)275831.8407
 Q(37.50)97528.0398
 Q(18.75)34489.5021
 Q(9.375)12200.2382
 Q(5.000)4756.3309
 Q(2.725)1916.8916
detected in ISM/CSMno


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