Relation between the structure of beta-peroxyalkyl radicals and selectivity of epoxide formation in oxidation of substituted styrenes

Authors
Suprun, VY Opeida, IA
Citation
Vy. Suprun et Ia. Opeida, Relation between the structure of beta-peroxyalkyl radicals and selectivity of epoxide formation in oxidation of substituted styrenes, RUSS J PH C, 75(5), 2001, pp. 750-756
Citations number
21
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY
ISSN journal
00360244 → ACNP
Volume
75
Issue
5
Year of publication
2001
Pages
750 - 756
Database
ISI
SICI code
0036-0244(200105)75:5<750:RBTSOB>2.0.ZU;2-J
Abstract
The electronic structure of beta -peroxyalkyl radicals and the enthalpies o f their reactions were calculated hy the PM3 quantum-chemical method. The s electivity of formation of epoxides in liquid-phase oxidation of substitute d styrenes was studied and related to the electronic properties of the radi cals and the enthalpies of their reactions.