c-C5H6-13C1
Cyclopentadiene with 13C on C1
Species tag 067507
Version2*
Date of EntryJan. 2025
ContributorL. Bonah

The microwave data of the first entry of Dec. 2021 were contributed by
(1) L. H. Scharpen and V. W. Laurie, 1965, J. Chem. Phys. 43, 2765;
while the millimeter-wave data were taken from
(2) L. Bonah, B. Helmstaedter, J.-C. Guillemin, S. Schlemmer, and S. Thorwirth, 2025, J. Mol. Spectrosc. 408, Art. No. 111967.
The data fit to roughly 15 kHz using an S-reduced Hamiltonian.
The calculations were truncated at J = 50 and at 500 GHz. They should be sufficient for all observational purposes. Transition frequencies with calculated uncertainties exceeding 0.1 MHz should be viewed with caution.
Non-trivial spin-statistics do not matter for this isotopolog.
The total dipole moment was assumed to agree with that of the main isotopolog; the relative magnitudes were taken from an MP2 quantum-chemical calculation by
(3) H. S. P. Müller, 2021, unpublished.
The a-component should be taken with some caution even though it looks like non of these transitions were above the intensity cut-offs.

Lines Listed6901
Frequency / GHz< 500
Max. J50
log STR0-9.0
log STR1-9.0
Isotope Corr. 
Egy / (cm–1)0.0
 µa / D0.055
 µb / D0.412
 µc / D 
 A / MHz8420.043
 B / MHz8040.433
 C / MHz4219.409
 Q(500.0)893287.5580
 Q(300.0)415010.0840
 Q(225.0)269530.9745
 Q(200.0)225876.6700
 Q(180.0)192855.3016
 Q(160.0)161623.0552
 Q(150.0)146710.9468
 Q(140.0)132288.3875
 Q(120.0)104982.4237
 Q(100.0)79868.1717
 Q(75.00)51884.6103
 Q(37.50)18358.9302
 Q(18.75)6502.2919
 Q(9.375)2307.1741
 Q(5.000)904.3310
 Q(2.725)368.0215
detected in ISM/CSMno


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