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The conformer I of glycine is the one lowest in energy.
It has an intermolecular H bond between the H atoms
of the amino group and the O atom of the carboxyl
group.
The microwave frequencies have been reported by
(1) F. J. Lovas, Y. Kawashima, J.-U. Grabow, R. D. Suenram,
G. T. Fraser, and E. Hirota,
1995, Astrophys. J. 455, L201.
The millimeter wave frequencies have been reported by
(2) V. V. Ilyushin, E. A. Alekseev, S. F. Dyubko,
R. A. Motiyenko, and F. J. Lovas,
2005, J. Mol. Spectrosc. 231, 15.
Predictions of transitions with ΔKa > 0
should be viewed with some caution because only a fairly small number of
b-type transitions have been observed. Extrapolations are assumed
to be reliable as long as the predicted uncertainties do not exceed
1 MHz.
The 14N hyperfine splitting was resolved in (1).
It may be resolved in cold sources or at lower frequencies.
Therefore, separate
predictions with hyperfine splitting are provided for J up to 10.
The partition function takes into account the spin multiplicity
gI = 3 of the 14N nucleus !
Glycine I has several low-lying vibrational modes; the lowest one is at
about 72 cm–1 or 104 K.
No vibrational state was considered in the calculation of
the partition function !
The dipole moment was reported in (1).
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