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The dataset and the fit have been decribed in detail
in
(1) S. Brünken, H. S. P. Müller, F. Lewen,
and T. F. Giesen,
2005, J. Chem. Phys. 123, Art. No. 164315.
The predictions have been limited to
Ka ≤ 2 because the reliability
of the Ka = 3 – 2
predictions is difficult to estimate. Moreover, levels with
N, Ka ≥ 2, 2 are higher than
276 cm–1 or 397 K.
The partition function takes into account higher values
of Ka. Transitions with
Ka = 1 – 0
may be reliably predicted up to N = 8
or 9, those with
Ka = 2 – 1
up to N = 6 or 7.
At lower temperatures, it may be necessary to distinguish
between ortho-CH2 and para-CH2.
The ortho and para levels are described by
Ka + Kc = even
and odd, respectively. The
NKaKc = 101,
J = 0 level is the lowest para state.
It is 15.1270 cm–1 above ground.
Nov. 2010: corrected separate
para and
ortho predictions are available along with separate
para and
ortho partition function values.
NOTE: The quantum number
format is different from that of the main entry; redundant
quantum numbers (e.g. I) have been omitted !
The ab initio dipole moment comes from
(2) P. R. Bunker and S. R. Langhoff,
1983, J. Mol. Spectrosc. 102, 204.
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