There are two HSNO conformers, cis and trans,
which are approximately isoenergetic, the latter possibly
slightly lower.
Low-J rotational transition frequencies with
14N hyperfine splitting are from
(1) M. Nava, M.-A. Martin-Drumel, C. A. Lopez, K. N. Crabtree,
C. C. Womack, T. L. Nguyen, S. Thorwirth, C. C. Cummins,
J. F. Stanton, and M. C. McCarthy,
2016, J. Am. Chem. Soc. 138, 11441.
The limited data set required DK and
d2 to be kept fixed to values from a
quantum-chemical calculation. For the same reason,
the calculated spectrum was truncated at J = 10,
Ka = 2 for a-type transitions and
1 for b-type transitions as well as 120 GHz.
The positions of Ka = 2 transitions
should be viewed with some caution. Nevertheless,
the calculation should be accurate enough for searches in
cold environments.
The two conformers were treated as separate molecules
in the calculation of the partition function.
The dipole moment components are from a quantum-chemical
calculation by
(2) S. Thorwirth, 2016, unpublished
results related to (1).
|