c-C5H7CN
1-Cyanocyclopentene
Species tag 093507
Version1*
Date of EntryJun. 2026
ContributorH. S. P. Müller

The molecule tunnels between two equivalent positions. Transitions within the tunneling states obey a- or b-type selection rules while c-type transitions connect the two tunneling states. The experimental data were taken from
(1) S. Mato, J. Cernicharo, I. Le&ocaute;n, B. A. McGuire, and E. R. Alonso, 2025, Astrophys. J. 994, Art.-No. 217.
The calculations should be sufficient for observational astronomy. Transition freqencies with calculated uncertainties larger than 0.1 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 50 GHz and with somewhat lowered intensity cut-offs. NOTE: The partition function takes into account the spin multiplicity of the 14N nucleus !
The dipole moment components were taken from a quantum chemical calculation in (1).

Lines Listed35104
Frequency / GHz< 500
Max. J167
log STR0-8.5
log STR1-5.7
Isotope Corr.0.0
Egy / (cm–1)0.0, 0.605
 µa / D4.7
 µb / D0.2
 µc / D0.2
 A / MHz7192.243
 B / MHz1809.568
 C / MHz1495.101
 Q(300.0)1191128.9748
 Q(225.0)773106.1573
 Q(150.0)420333.3938
 Q(75.00)148167.2181
 Q(37.50)52094.5201
 Q(18.75)18219.8114
 Q(9.375)6306.8072
 Q(5.000)2370.3165
 Q(2.725)898.3596
detected in ISM/CSMno


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