✦ LIBER ✦
A simple empirical method for the estimation of activation energies in radical molecule metathesis reactions
✍ Scribed by Ze'ev B. Alfassi; Sidney W. Benson
- Publisher
- John Wiley and Sons
- Year
- 1973
- Tongue
- English
- Weight
- 633 KB
- Volume
- 5
- Category
- Article
- ISSN
- 0538-8066
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✦ Synopsis
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.