NH3D+
Ammonium, deuterated isotopolog
Species tag 019506
Version1*
Date of EntrySep. 2013
ContributorH. S. P. Müller

Ammonium does not have a permanent electric dipole moment, just as the isoelectronic methane. The asymetrically deuterated isotopologs have comparatively large dipole moments because the center of charge differs considerably from the center of mass.
The predictions are mainly based on improved IR data of the ν4 band from
(1) J. L. Doménech, M. Cueto, V. J. Herrero, I. Tanarro, B. Tercero, A. Fuente, and J. Cernicharo, 2013, Astrophys. J. 771, L11.
The molecule was subsequently detected in space and an accurate rest frequency for the J = 1 – 0 transition was derived by
(2) J. Cernicharo, B. Tercero, A. Fuente, J. L. Doménech, M. Cueto, E. Carrasco, V. J. Herrero, I. Tanarro, N. Marcelino, E. Roueff, M. Gerin, and J. C. Pearson, 2013, Astrophys. J. 771, L10.
At low temperatures, it may be necessary to discern between A-NH3D+ and E-NH3D+. The A state levels are described by K = 3n, those of E state by K = 3n ± 1. The nuclear spin-weight ratio is 2 : 1 for A-NH3D+ with K > 0 and all other states, respectively. The JK = 11 level is the lowest E state level. It is about 10.2349 cm–1 above ground.
Separate E and A predictions are available along with separate E and A partition function values. It appears unlikely that many additional transitions of NH3D+ are observable in space beyond J = 1 – 0. Therefore, we assume to predictions to be of sufficient accuracy if the astronomically determined rest frequency is correct within the quoted uncertainties.
The dipole moment was derived from the structure by
(3) T. Nakanaga and T. Amano, 1986, Can. J. Phys. 64, 1356.

Lines Listed55
Frequency / GHz< 2621
Max. J10
log STR0-5.0
log STR1-5.0
Isotope Corr.-3.813
Egy / (cm–1)0.0
 µa / D0.26
 µb / D 
 µc / D 
 A175439.
 B131412.0
 C 
 Q(300.0)677.1409
 Q(225.0)440.2783
 Q(150.0)240.3643
 Q(75.00)85.8853
 Q(37.50)31.1817
 Q(18.75)12.0448
 Q(9.375)5.2103
 Q(5.000)2.8066
 Q(2.725)2.0856
detected in ISM/CSMyes


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