c-C5H6-13C2
Cyclopentadiene with 13C on C2
Species tag 067508
Version2*
Date of EntryFeb. 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-wavelength data was 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(3) H. S. P. Müller, 2021, unpublished; these should be taken with some caution.

Lines Listed6282
Frequency / GHz< 500
Max. J50
log STR0-9.0
log STR1-9.0
Isotope Corr.
Egy / cm-10
 µa / D0.197
 µb / D0.366
 µc / D 
 A / MHz8345.133
 B / MHz8108.711
 C / MHz4219.065
 Q(500.0)893539.4442
 Q(300.0)415126.9742
 Q(225.0)269606.8564
 Q(200.0)225940.2522
 Q(180.0)192909.5819
 Q(160.0)161668.5394
 Q(150.0)146752.2318
 Q(140.0)132325.6115
 Q(120.0)105011.9602
 Q(100.0)79890.6392
 Q(75.00)51899.2029
 Q(37.50)18364.0912
 Q(18.75)6504.1187
 Q(9.375)2307.8216
 Q(5.000)904.5843
 Q(2.725)368.1243
detected in ISM/CSMno


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