CHD2+
Methylium, doubly deuterated isotopolog
Species tag 017505
Version1*
Date of EntryFeb. 2018
ContributorH. S. P. Müller

CH3+ and CD3+ do not posess a permanent dipole moment because they are planar symmetric top rotors. In contrast, both CH2D+ and CHD2+ do have a sizable dipole moment because the charge is not located in the center of mass.
Rotational transition frequencies as well as ground state combination differences (GSCDs) from the ν1 band have been determined by
(1) P. Jusko, A. Stoffels, S. Thorwirth, S. Brünken, S. Schlemmer, O. Asvany, 2017, J. Mol. Spectrosc. 332, 59.
The rotational data were reproduced on average to slightly better than twice the uncertainties, as reported in (1). Therefore, the reported uncertainties were doubled. In addition, GSCDs with large residuals were omitted from the line list.
The measurements likely cover more transitions than may be observed astronomically. Care is advised for transitions with calculated uncertainties larger than 0.25 MHz.
An estimate for the dipole moment was reported in
(2) M. F. Jagod, M. Rösslein, C. M. Gabrys, and T. Oka, 1992 J. Mol. Spectrosc. 153, 666.
At low temperatures, it may be necessary to discern between ortho-CHD2+ and para-CHD2+. The para states are described by Ka + Kc odd, the ortho states by Ka + Kc even. The nuclear spin-weights are 2 and 1 for ortho-CHD2+ and para-CHD2+, respectively. The JKaKc = 101 is the lowest para state. It is 7.5056 cm–1 above ground.
Separate para and ortho predictions are available up to J = 4 along with separate para and ortho partition function values.

Lines Listed593
Frequency / GHz< 6860
Max. J22
log STR0-6.7
log STR1-5.7
Isotope Corr.-7.620
Egy / cm–10.0
 µa / D0.310
 µb / D 
 µc / D 
 A / MHz217431.51
 B / MHz140618.07
 C / MHz84406.69
 Q(300.0)825.2234
 Q(225.0)536.2198
 Q(150.0)292.4432
 Q(75.00)104.2253
 Q(37.50)37.5127
 Q(18.75)13.7775
 Q(9.375)5.4105
 Q(5.000)2.8018
 Q(2.725)2.0921
detected in ISM/CSMno


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