Ethenethiol and 1-propene-1-thiol: a photoelectron spectroscopic study

Abstract

Ethenethiol and 1-propene-1-thiol were produced through the thermolysis of thiirane and 2-methylthiirane, respectively, under reduced pressure in a flow system. The photoelectron spectra of the olefin thiols are characterised by the presence of a sharp first band which is well separated from the other bands by more than 2 eV. The spectra are discussed with the aid of AM1 and ab initio SCF MO calculations, and a diagram which correlates the binding energies of the first three orbitals, viz. πCCS *, πCCS and σCS, with those of the corresponding orbitals of related molecules. © 1994.