|
The entry refers to the E- or trans-conformer,
which is by far lowest in energy. The data set was
taken from
(1) N. Jiang, M. Melosso, L. Bizzocchi, S. Alessandrini,
J.-C. Guillemin, L. Dore, and C. Puzzarini,
2022, J. Phys. Chem. A 126, 1881.
New millimeter wave data were reported between 229 and
331 GHz.
Data below 50 :GHz were taken from
(2) M. Sugie, H. Takeo, and C. Matsumura,
1989, J. Am. Chem. Soc. 111, 906.
The accuracy of the entry should be sufficient for
astronomical observations. Transition frequencies with
calculated uncertainties exceeding 0.1 MHz should
be viewed with caution.
14N hyperfine splitting may matter
in astronomical observations. Therefore, a
separate hyperfine calculation is provided for
J ≤ 40 and Ka ≤ 4
below 400 GHz and with somewhat lowered intensity cut-offs.
NOTE: The partition function
takes into account the spin multiplicity of the 14N
nucleus !
The dipole moment was measured in (2).
|