c-C5H6-D1
Cyclopentadiene with D on H1
Species tag 067510
Version1*
Date of EntryDec. 2021
ContributorH. S. P. Müller

The microwave data were contributed by
(1) D. Damiani, L. Ferretti, and E. Gallinella, 1976, Chem. Phys. Lett. 37, 265.
Estimates of the quartic distortion parameters were derived from an MP2 quantum-chemical calculation by
(2) H. S. P. Müller, 2021, unpublished;
following
(3) H. S. P. Müller, A. Brahmi M., J.-C. Guillemin, F. Lewen, and S. Schlemmer, 2021, Astron. Astrophys. 647, Art. No. A179.
The data set is very small, but the calculations may be sufficient for searches in cold sources. Transition frequencies with J ≥ 10 should be taken with caution as should those with calculated uncertainties exceeding 0.1 MHz.
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 (2). The a-component should be taken with some caution.

Lines Listed1509
Frequency / GHz< 180
Max. J20
log STR0-12.0
log STR1-7.5
Isotope Corr. 
Egy / (cm–1)0.0
 µa / D0.091
 µb / D0.406
 µc / D 
 A / MHz8414.05
 B / MHz7591.89
 C / MHz4091.15
 Q(300.0)54235.1635
 Q(225.0)35223.4398
 Q(150.0)19172.7941
 Q(75.00)6780.4311
 Q(37.50)2399.1375
 Q(18.75)849.6712
 Q(9.375)301.4514
 Q(5.000)118.1355
 Q(2.725)48.0590
detected in ISM/CSMno


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