Radical Addition to Alkenes: A Theoretical Perspective

Leo Radom, Ming Wah Wong, Addy Pross

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

An account of the use of ab inito molecular orbital calculations to study the addition of free radicals to alkenes is presented. The studies involve three stages: (a) assessment of the various possible theoretical procedures, (b) application of a selected procedure to specific chemical problems, and (c) qualitative rationalization of the results. It is found that high levels of theory are required in order to obtain quantitatively useful results. Methyl radical addition to alkenes are also important for the additions of CH2OH, CH2CN and t-butyl radicals.

Original languageEnglish
Pages (from-to)31-49
Number of pages19
JournalACS Symposium Series
Volume685
DOIs
StatePublished - 1 Jan 1998

ASJC Scopus subject areas

  • Chemistry (all)
  • Chemical Engineering (all)

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