A simple empirical method for the estimation of activation energies in radical molecule metathesis reactions

Ze'ev B. Alfassi, Sidney W. Benson

Research output: Contribution to journalArticlepeer-review

21 Scopus citations

Abstract

Several new empirical methods are presented for the prediction of activation energies E of the metathetical transfer reaction of single bonded atoms in radical‐molecule reactions of the type A· + BC → AB + C· The methods assign additive contributions to E for the endgroups A· and C·, neglecting the effect of the transferred atom B. Most of the predicted values agree to within l kcal mol−1 with the experimental activation energies (average error = 0.82 and standard deviation = 1.02 kcal mol−1). This is comparable to the best of the more complex schemes available for such estimation.

Original languageEnglish
Pages (from-to)879-892
Number of pages14
JournalInternational Journal of Chemical Kinetics
Volume5
Issue number5
DOIs
StatePublished - 1 Jan 1973

ASJC Scopus subject areas

  • Biochemistry
  • Physical and Theoretical Chemistry
  • Organic Chemistry
  • Inorganic Chemistry

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