MNDO 3 STUDY OF THE RELATIVE REACTIVITY OF ETHYLENE DERIVATIVES UPON ADDITION TO THE BENZYL RADICAL/

Authors
PINYASKIN VV CHISTYAKOV AL STANKEVICH IV TERENTEV AB
Citation
Vv. Pinyaskin et al., MNDO 3 STUDY OF THE RELATIVE REACTIVITY OF ETHYLENE DERIVATIVES UPON ADDITION TO THE BENZYL RADICAL/, Bulletin of the Russian Academy of Sciences, Division of Chemical Sciences, 41(7), 1992, pp. 1301-1303
Citations number
3
Journal title
Bulletin of the Russian Academy of Sciences, Division of Chemical Sciences → ACNP
ISSN journal
10635211
Volume
41
Issue
7
Year of publication
1992
Part
2
Pages
1301 - 1303
Database
ISI
SICI code
1063-5211(1992)41:7<1301:M3SOTR>2.0.ZU;2-3
Abstract
The transition states for the addition of a benzyl radical to substitu ted ethylenes CH2 = CHX were determined by the MNDO/3 method, where X = H, CF3, CN, CH3, C4H9, C(CH3)3, CO2CH3, and Si(CH3)3. The activation energies of the forward and back reactions were determined.