|
The initial lines were reported by
(1) M. A. Brewster, A. J. Apponi, J. Xin, and L. M. Ziurys,
1999, Chem. Phys. Lett. 310, 411.
With respect to the first entry of Oct. 2011, hyperfine
resolved data were included in the fit. These were
taken from
(2) P. B. Changala, N. Genossar-Dan, E. Brudner, T. Gur,
J. H. Baraban, and M. C. McCarthy,
2023, Proc. Natl. Acad. Sci. USA 120, Art. No. e2303586120;
and from
(3) J. E. Burns, Q. Cheng, R. C. Fortenberry, M. Sun,
L. N. Zack, T. Zaveri, N. J. DeYonker, and L. M. Ziurys,
2024, Mol. Phys. 122, Art. No. e2267135.
The calculations should be sufficiently accurate throughout;
some caution may be advisable above 800 GHz.
1H hyperfine splitting may be resolved at
lower frequencies. Therefore, a separate calculation with
1H hyperfine splitting and J" ≤ 4
is available.
Note: The partition
function takes now into account the spin-multiplicity of
2 of the H nucleus in the HFS free calculation.
The dipole moment was taken from a quantum-chemical
calculation by
(4) D. E. Woon, 1996, Astrophys. J. 456, 602.
|