Transition State Structure and Mechanism of the Reaction of Hydroxybenzenes with N-Centered Radical in Non-Ionizing Media View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2018-07

AUTHORS

N. I. Belaya, A. V. Belyi, O. M. Zarechnaya, I. N. Shcherbakov, V. S. Doroshkevich

ABSTRACT

Experimentaly and theoretically, using the method of density functional theory, the structure of 2,2'-diphenyl-1-picrylhydrazyl radical and the mechanism of its reaction with di- and trihydroxybenzenes in non-ionizing media have been investigated. It was established that in nonpolar solvents the elimination of hydrogen atom from hydroxybenzene by the radical occurs as a conjugate transfer of proton and electron, as confirmed by the existence of a deuterium isotope effect as well as characteristic geometrical and electronic parameters of pre-reaction complexes and transition states of the reaction. More... »

PAGES

1351-1362

Identifiers

URI

http://scigraph.springernature.com/pub.10.1134/s013434751807001x

DOI

http://dx.doi.org/10.1134/s013434751807001x

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1106581355


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