ESR of carbomethoxycyanobenzyl radicals. π- and σ-spin delocalization into the phenylring
1972; Elsevier BV; Volume: 13; Issue: 5 Linguagem: Inglês
10.1016/0009-2614(72)80073-3
ISSN1873-4448
AutoresW.J. van den Hoek, B.A.C. Rousseeuw, J. Smidt, W. G. B. Huysmans, W Mijs,
Tópico(s)Insect and Pesticide Research
ResumoAbstract The ESR spectra of a series of carbomethoxycyanobenzyl radicals have been examined at temperatures between 40° and 200°C. Anomalous spin-density distribution in the phenylring is observed with the sterically hindered orthomethyl substituted species. This is interpreted in terms of π- and σ-spin delocalization into the phenylring with the aid of INDO SCF MO calculations.
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