C6H5C3N
Phenylpropynenitrile
Species tag 127501
Version1*
Date of EntryFeb. 2023
ContributorH. S. P. Müller

The transition frequencies were reported by
(1) 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
.
The transition frequencies should be sufficiently accurate for all observational purposes. Transitions with ΔKa = 2 and with calculated uncertainties exceeding 0.2 MHz should be viewed with caution.
14N hyperfine splitting may matter in astronomical observations. Therefore, a separate hyperfine calculation is provided for J' ≤ 20 below 22.2 GHz along with separate partition function values.
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 (1).

Lines Listed42409
Frequency / GHz< 358
Max. J337
log STR0-9.5
log STR1-6.0
Isotope Corr. 
Egy / (cm–1)0.0
 µa / D5.9
 µb / D 
 µc / D 
 A / MHz5659.9
 B / MHz569.582
 C / MHz517.404
 Q(300.0)2716573.8705
 Q(225.0)1763950.9981
 Q(150.0)959893.0690
 Q(75.00)339283.2537
 Q(37.50)119948.1865
 Q(18.75)42413.8994
 Q(9.375)15001.5696
 Q(5.000)5847.3899
 Q(2.725)2355.8827
detected in ISM/CSMno


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