THEORETICAL-STUDY OF PYROLYSE OF UNSATURA TED ESTERS

Authors
PASCAL YL LEVISALLES J NORMANT JM
Citation
Yl. Pascal et al., THEORETICAL-STUDY OF PYROLYSE OF UNSATURA TED ESTERS, Tetrahedron, 49(35), 1993, pp. 7679-7690
Citations number
24
Categorie Soggetti
Chemistry Inorganic & Nuclear
Journal title
Tetrahedron → ACNP
ISSN journal
00404020
Volume
49
Issue
35
Year of publication
1993
Pages
7679 - 7690
Database
ISI
SICI code
0040-4020(1993)49:35<7679:TOPOUT>2.0.ZU;2-S
Abstract
The transition states for various thermal processes (elimination, sigm atropic rearrangement) were obtained from AM1 method. The sigmatropic rearrangement is the easiest and the boat conformation of the transiti on state is more stable than the chair one, even at the 6-31G//6-31G and MP4/6-31G*//MP2/6-31G* levels.