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Teoret. i eksperim. khimiya. 2006. Vol.42 No. 1. p. 19-22

Reactivity of Cyano-Substituted Fluorenes in Reaction with TEMPO Radical


I. A. Opeida, A. G. Matvienko, O. Z. Bakurova

L. M. Litvinenko Institute of Physical-Organic and Coal Chemistry, National Academy of Sciences of Ukraine
Vul. R. Luxemburg 70, 83114 Donetsk, Ukraine. E-mail: opeida@infou.donetsk.ua

Rate constants for reaction of radical TEMPO with fluorene, 2-CN-fluorene and 9-CN-fluorene were ob- tained by ESR method. Comparison of the indicated hydrocarbons reactivity in reactions with TEMPO and cumylperoxyl radicals was carried out. Quantum-chemical characteristics of radicals and molecules participating in the studied processes and also characteristics of transition states for reactions of fluorene with TEMPO and cumylperoxyl radicals were obtained by PM3 method.

Key word radical TEMPO, alkylarenes, kinetics, reaction rate constants of H-atom substractions, ESR, bond dissocia-
tion energy, ionization energy, electron affinity, reactivity, transition state.