Photoelectron spectroscopic study of the thermal decomposition of 2-pyrrolidinone and 2-pyrrolidinethione

Abstract

The thermal decomposition of 2-pyrrolidinone and 2-pyrrolidinethione was investigated in a flow system by following the changes in their UV photoelectron spectra at various temperatures. At ca. 850 °C 2-pyrrolidinone begins to decompose by a decarbonylation process into carbon monoxide, ethene, hydrogen cyanide and molecular hydrogen. By contrast, at ca. 800 °C, 2-pyrrolidinethione decomposes mainly into pyrrole and hydrogen sulfide. MO calculations at the PM3 and 6–31G levels provide theoretical support for the mechanisms proposed for these decompositions.