trans-HSNO
trans-Thionitrous acid, trans-Nitrosylsulfan
Species tag 063516
Version1*
Date of EntryApr. 2024
ContributorH. S. P. Müller

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(2) S. Thorwirth, 2016, unpublished results related to (1).

Lines Listed380
Frequency / GHz< 120
Max. J10
log STR0-11.0
log STR1-6.5
Isotope Corr. 
Egy / (cm–1)0.0
 µa / D1.062
 µb / D0.660
 µc / D 
 A / MHz70594.90
 B / MHz6176.187
 C / MHz5672.515
 Q(300.0)53101.9541
 Q(225.0)34454.3459
 Q(150.0)18736.7639
 Q(75.00)6620.8597
 Q(37.50)2342.3258
 Q(18.75)829.9124
 Q(9.375)294.8076
 Q(5.000)115.8037
 Q(2.725)47.3481
detected in ISM/CSMno


Database maintained by Holger S. P. Müller and Sven Thorwirth, programming by D. Roth and F. Schlöder