13CCl+, v = 0
Chloromethylidynium, X 1Σ+, v = 0, 13C isotopolog
Species tag 048513
Version1*
Date of EntryJun. 2023
ContributorS. Thorwirth
H. S. P. Müller

The Dunham fit was described in
(1) O. Asvany, C. R. Markus, K. Nagamori, H. Kohguchi, J. Furuta, K. Kobayashi, S. Schlemmer, and S. Thorwirth, 2021, Astrophys. J. 910, Art. No. 15.
The rotational data are from that work, the rovibrational data were taken from
(2) M. Gruebele, M. Polak, G. A. Blake, and R. J. Saykally, 1986, J. Chem. Phys. 85, 6276.
The ground state dipole moment was taken from a quantum-chemical calculation by
(3) K. A. Peterson, R. C. Woods, P. Rosmus, and H.-J. Werner, 1990, J. Chem. Phys. 93, 1889.
Transition frequencies should be fairly reliable up to about 500 GHz. Please note: There are presently no experimental data for this isotopolog. The breakdown of the Born-Oppenheimer approximation had to be neglected for this substitution. This leads to a small, but likely not negligible, error in B. The hyperfine splitting is slightly different from that of the main isotopolog, but this effect is probably smaller than that caused by the neglect of the breakdown of the Born-Oppenheimer approximation.
The partition function takes excited vibrational states into account.

Lines Listed95
Frequency / GHz< 720
Max. J16
log STR0-8.0
log STR1-6.0
Isotope Corr. 
Egy / cm–10.0
 µa / D0.158
 µb / D 
 µc / D 
 A / MHz 
 B / MHz22458.31
 C / MHz 
 Q(300.0)1120.7465
 Q(225.0)837.5631
 Q(150.0)558.2894
 Q(75.00)279.7413
 Q(37.50)140.5262
 Q(18.75)70.9372
 Q(9.375)36.1578
 Q(5.000)19.9494
 Q(2.725)11.5607
detected in ISM/CSMno


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