Abstract
The low resolution infrared (3100-475 cm −1) spectra of the unstable molecule dithioformic acid, HCSSH, and its monosubstituted isotopomer, dithioformic acid-d 1, DCSSH, have been recorded in the gas phase. The spectra are interpreted in terms of an equilibrium between two geometric isomers. Vibrational assignments are based on infrared band contours, stop—flow techniques and vibrational frequencies derived from ab initio calculations performed at the 6–31G* SCF level. Potential energy calculations show that the trans conformer is stabilized by 479 cm −1 (1370 cal) relative to the cis species.
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