PHOTOELECTRON SPECTROSCOPIC STUDY OF THE THERMAL-DECOMPOSITION OF 2-PYRROLIDINONE AND 2-PYRROLIDINETHIONE

Authors
CHIN WS MOK CY HUANG HH RZEPA HS
Citation
Ws. Chin et al., PHOTOELECTRON SPECTROSCOPIC STUDY OF THE THERMAL-DECOMPOSITION OF 2-PYRROLIDINONE AND 2-PYRROLIDINETHIONE, Perkin transactions. 2, (3), 1995, pp. 427-430
Citations number
16
Categorie Soggetti
Chemistry Physical","Chemistry Inorganic & Nuclear
Journal title
Perkin transactions. 2 → ACNP
ISSN journal
03009580
Issue
3
Year of publication
1995
Pages
427 - 430
Database
ISI
SICI code
0300-9580(1995):3<427:PSSOTT>2.0.ZU;2-A
Abstract
The thermal decomposition of 2-pyrrolidinone and 2-pyrrolidinethione w as investigated in a flow system by following the changes in their UV photoelectron spectra at various temperatures. At ca. 850 degrees C 2- pyrrolidinone begins to decompose by a decarbonylation process into ca rbon monoxide. ethene, hydrogen cyanide and molecular hydrogen. By con trast, at ca. 800 degrees C, 2-pyrrolidinethione decomposes mainly int o pyrrole and hydrogen sulfide. MO calculations at the PM3 and 6-31G l evels provide theoretical support for the mechanisms proposed for thes e decompositions.