EPOXIDATION MECHANISM - BEHAVIOR OF MOLEC ULAR-ORBITALS

Authors
RAMIREZ GG RUBIO M PONCE P CETINA R
Citation
Gg. Ramirez et al., EPOXIDATION MECHANISM - BEHAVIOR OF MOLEC ULAR-ORBITALS, Afinidad, 55(474), 1998, pp. 143-150
Citations number
18
Categorie Soggetti
Chemistry
Journal title
Afinidad → ACNP
ISSN journal
00019704
Volume
55
Issue
474
Year of publication
1998
Pages
143 - 150
Database
ISI
SICI code
0001-9704(1998)55:474<143:EM-BOM>2.0.ZU;2-T
Abstract
The study of the mechanism of reaction for the epoxidation took place in an asynchronous concerted way with the semi-empirical method AM1, u sing ethylene and performic acid as reaction model. By means of the an alysis of boundary molecular orbitals and of molecular orbitals vicina l to the boundary ones, the electrophilic characteristic of the perfor mic acid was explained in this reaction.