Theoretical study of the addition of bromine atoms to monosubstituted and disubstituted derivatives of ethylene

E. Wünsch, M. Sodupe, J. M. Lluch, A. Oliva, J. Bertrán

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5 Citations (Scopus)

Abstract

The addition of bromine atoms to monosubstituted and disubstituted derivatives of ethylene has been studied using the semiempirical MNDO method. The results obtained show that the anti-Markovnikov addition is always produced in monosubstituted olefins, while the attack takes place at the carbon atom bonded to the most electron-withdrawing group in disubstituted ones. The different factors which permit interpretation of this regioselectivity and the effect of substituents on the reaction rate are discussed. © 1988.
Original languageEnglish
Pages (from-to)225-232
JournalJournal of Molecular Structure: THEOCHEM
Volume170
Issue numberC
DOIs
Publication statusPublished - 1 Jan 1988

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