The reactivity of tert-butoxyl radicals in reactions of hydrogen abstraction and β-elimination View Full Text


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Article Info

DATE

2001-02

AUTHORS

I. A. Opeida, A. F. Dmitruk, O. M. Zarechnaya

ABSTRACT

The transition states of competing reactions of abstraction of the H atom from hydrocarbon molecules by tert-butoxyl radical and its β-elimination were studied by the semiempirical quantum-chemical AM1 method. The calculated activation enthalpy and entropy of these reactions correlate with the experimental values. A correlation between the reactivity in homolytic hydrogen abstraction and the parameters of the chemical structure of the reactants was found. More... »

PAGES

241-244

Identifiers

URI

http://scigraph.springernature.com/pub.10.1023/a:1009570032394

DOI

http://dx.doi.org/10.1023/a:1009570032394

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1006282699


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