trans-HC(O)SH
Monothioformic acid, trans isomer
Species tag 062515
Version1*
Date of EntryApr. 2014
ContributorH. S. P. Müller

Among the four possible isomers of monothioformic acid, trans-HC(O)SH and cis-HC(O)SH are stable, whereas trans-HC(S)OH and cis-HC(S)OH are not. As for formic acid, the trans isomer is lower than the cis isomer. The experimental lines were reported by
(1) W. H. Hocking and G. Winnewisser, 1976, Z. Naturforsch. 31a, 422.
Most transition frequencies were deemed to be accurate to 10 kHz; few frequencies with comparatively large residuals were omitted from the fit. Predictions with calculated uncertainties larger than 200 kHz should be viewed with caution. The data set is probably extensive enough for astronomical observations.
The dipole moment and the energy difference were determined in
(2) W. H. Hocking and G. Winnewisser, 1976, Z. Naturforsch. 31a, 995.
The energy difference of 231.3 cm–1 and the separating barrier are high enough that the two isomers may exist as seperate molecules at low to moderately high temperatures (below 100 K). The partition functions were therefore determined independently.

Lines Listed7897
Frequency / GHz< 1000
Max. J90
log STR0-8.3
log STR1-6.5
Isotope Corr.-0.028
Egy / (cm–1)0.0
 µa / D1.366
 µb / D0.702
 µc / D 
 A / MHz62036.09
 B / MHz6125.305
 C / MHz5569.642
 Q(300.0)19092.2846
 Q(225.0)12394.6823
 Q(150.0)6744.1406
 Q(75.00)2384.4126
 Q(37.50)843.7693
 Q(18.75)298.9846
 Q(9.375)106.2053
detected in ISM/CSMyes


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