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The experimental data were taken from
(1) W. L. Barclay Jr., and M. A. Anderson, L. M. Ziurys,
1992, Chem. Phys. Lett. 196, 225.
The N = 3 – 2 transition
frequencies, which showed some broadening, possibly
because of hyperfine splitting caused by the H nucleus,
were omitted from the fit because of large residuals
both with the splitting as well as without the
splitting (using the intensity-weighted averages).
Information on the hyperfine structure is available
from ESR measurement of MgO in neon matrix and
from quantum chemical calculations. These were
reported by
(2) J. M. Brom, Jr., and W. Weltner, Jr.,
1973, J. Chem. Phys. 58, 5322;
and by
(3) B. Fernández,
1996, Chem. Phys. Lett. 259, 635;
respectively.
A separate prediction considering
1H hyperfine splitting with J" ≤ 4
is available together with appropriate
partition function values.
The predictions with hyperfine structure should be viewed
with considerable caution. In contrast, the hyerfine free
predictions should be sufficiently accurate for radio
astronomical observations throughout.
The dipole was assumed to be slightly smaller than that
of CaOH (e057501.cat).
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