Extension of BEBO method for the estimation of activation energies of intraradical 1,2-hydrogen shift reactions
✍ Scribed by L. Valko; P. Šimon
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 867 KB
- Volume
- 99
- Category
- Article
- ISSN
- 0301-0104
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## 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· an
Since the activation energy for the reaction R H + 0 2 -+ R . + HO; is very close to its endothermicity, the R-H bond energy can be calculated from the activation energy for free radical formation by the reaction R H + 0 2 . The relation between Ei and QR-H was found empirically after measuring Ei b
An excellent substrate of methylmalonyl-CoA mutase, methylmalonyl-carba-(dethia) coenzyme A (methylmalonyl-CH(2)-CoA), was synthesized by a chemoenzymatic method and its alpha-proton was exchanged with deuterium by long-term incubation in deuterium oxide at pH 6.9. After addition of highly purified