The E stereo isomer is the lower energy form;
the Z form is calculated to be 3.16 kJ/mol
higher in energy.
The rotational spectrum was recorded between
158 and 470 GHz by
(1) L. Margulès, A. Remijan, A. Belloche, R. A.
Motiyenko, B. A. McGuire, C. Xue, H. S. P. Müller,
R. T. Garrod, K. M. Menten, and J.-C. Guillemin,
2022, Astron. Astrophys. 663, Art. No. A132.
No hyperfine structure (HFS) splitting was resolved,
and it may be too small to be resolved in astronomical
observations. The calculations should be sufficiently
accurate for all observational purposes. Frequencies with
calculated uncertainties exceeding 0.2 MHz should be
viewed with caution.
The two stereo isomeric forms were treated as separate
species in (1) which is certainly appropriate at low
temperatures. The partition function below refers to
the ground vibrational state only.
Vibrational correction factors for a posteriori corrections
were derived in (1) in the harmonic approximation.
It may be useful to treat the two forms as being in local
thermodynamic equilibrium at higher temperatures. Corresponding
vibrational correction factors with contributions for Z for
a posteriori corrections of the rotational partition function of E
were derived in the harmonic approximation.
The dipole moment components are from a quantum-chemical
calculation in (1).
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