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The N-protonated HNCO is much lower in energy
than the O-protonated HNCO. The transition
frequencies were reported by
(1) H. Gupta, C. A. Gottlieb, V. Lattanzi,
J. C. Pearson, and M. C. McCarthy,
2013, Astrophys. J. 778, L1.
The quality of the predictions may be sufficient
for all astronomical purposes, at least for fairly
cold environments. Predictions with uncertainties
larger than 0.5 MHz should be viewed with caution.
14N hyperfine splitting can be resolved
at low quantum numbers. Therefore, a separate
calculation with
14N hyperfine splitting is provided
up to J" = 4 together with
partition function values.
At low temperatures, it may be necessary to discern
between ortho-H2NCO+
and para-H2NCO+.
The ortho and para states are described
by Ka being odd and even,
respectively. The nuclear spin-weights are 3 and 1
for ortho-H2NCO+ and
para-H2NCO+, respectively. The
JKaKc =
111, F = 0 is the lowest
ortho state. It is 11.00 cm–1
above ground. Therefore, separate
para and
ortho predictions are available up to about
100 cm–1 along with separate
para and
ortho partition function values. Note:
the spin-weight of 3 for the separate ortho predictions
has been eliminated.
The ab initio dipole moment value was reported
by
(1) V. Lattanzi, S. Thorwirth, C. A. Gottlieb,
and M. C. McCarthy,
2012, J. Phys. Chem Lett. 3, 3420.
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