Conformational analysis of mesocyclic polythioethers : Gas phase conformational analysis of five mesocyclic polythioethers using photoelectron spectroscopy

The helium I photoelectron spectra of the mesocyclic polythioethers 1,4-dithiacycloheptane (1,4-DTCH), 1,5-dithiacyclooctane (1,5-DTCO), 1,5-dithiacyclononane (1,5-DTCN), 1,4,7-trithiacyclononane (1,4,7-TTCN), and 1,6-dithiacyclodecane (1,6-DTCD) are reported. The conformations of these molecules in the gas phase are deduced from correlations of the observed spectra with semi-empirical MO calculations, as well as molecular mechanics analysis.