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Correlation analysis in the chemistry of free radicals
KTH, Superseded Departments, Chemistry.ORCID iD: 0000-0003-0663-0751
2001 (Russian)In: Uspehi himii, ISSN 0042-1308, Vol. 70, no 1, 3-27 p.Article, review/survey (Refereed) Published
Abstract [ru]

Published data available by now on the use of correlation analysis in the free-radical chemistry are discussed systematically. The scales of <> sigma -constants of substituents proposed previously are analysed. It is shown that none of them is suitable as a general scale because almost in all cases, it is impossible to separate correctly the proper radical and polar contributions to the overall effect of substituents. A new approach to the quantitative estimation of the relationship between the structure and reactivity of molecules in free-radical processes is proposed and called r(-2)-analysis.

Place, publisher, year, edition, pages
2001. Vol. 70, no 1, 3-27 p.
Keyword [ru]
bond-dissociation energies, hyperfine coupling-constants, carbon-centered radicals, benzyl-type radicals, inductive electronegativity scale, electron reduction potentials, substituted methyl radicals, cis-trans isomerization, tert-butoxy radicals, delta-d scale
URN: urn:nbn:se:kth:diva-20390ISI: 000167144700001OAI: diva2:339085
QC 20100525Available from: 2010-08-10 Created: 2010-08-10Bibliographically approved

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