ISSN print edition: 0366-6352 ISSN electronic edition: 1336-9075 Registr. No.: MK SR 9/7 Published monthly

Paramagnetic species in the reactions of organometallic reagents. XVI. Ketyl radicals and the variation of their unpaired spin density by substituents and counterions

P. Pelikán, A. Staško, and Ľ. Malík

Department of Physical Chemistry, Slovak Technical University, 812 37 Bratislava

Abstract: The push and pull effect of oxido anion group of the experimentally investigated aryl aryl and aryl alkyl ketyl radicals is interpreted by INDO calculations. From the counter ions in questions (H⁺ , MgCl⁺, Ni⁰, Ni²⁺) the best agreement between the experiment and the calculations was obtained for Ni²⁺. The observed nonequivalence of ß protons attached to ketyl group is explained by hindered rotation of CH₂ group assuming its proton is in the plane of aromatic ring.

Full paper in Portable Document Format: 363a301.pdf

Chemical Papers 36 (3) 301–309 (1982)