The experimental millimeter and lower submillimeter
lines are from
(1) J. Tang, and S. Saito,
1996, J. Chem. Phys. 105, 8020.
Additional lower frequency data with hyperfine structure
splitting were taken from
(2) E. Kim, H. Habara, and S. Yamamoto,
2002, J. Mol. Spectrosc. 212, 83.
The spin-orbit splitting was taken from
(3) S.-G. He and D. C. Clouthier,
2005, J. Chem. Phys. 123, Art. No. 014317.
The calculation should be reliable throughout. Slight caution
may be advisable at frequencies higher than 400 GHz.
The 2H hyperfine splitting may be resolved for
lower J transitions. Therefore, a separate
hyperfine calculation up to J' = 4.5 is provided.
The 2H spin multiplicity of 3 was considered
in the calculation of the partition function !
The dipole moment is from an ab initio calculation
from
(4) C. Puzzarini,
2008, Chem. Phys. 346, 45.
|