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The effect of remote substituents in free radical addition reactions: new evidence for the penultimate unit effect

Coote, Michelle; Davis, Thomas P; Radom, Leo

Description

Ab initio molecular orbital calculations of the barrier for the addition of gamma-substituted propyl radicals to various alkenes indicate that substituents at the gamma position of a radical can significantly affect the barrier. This finding supports recent experimental evidence for an enthalpic penultimate unit effect in free-radical copolymerization. For the reactions studied in the present work, this penultimate unit effect is consistent with a significant polar contribution.

CollectionsANU Research Publications
Date published: 1999
Type: Journal article
URI: http://hdl.handle.net/1885/93772
Source: Journal of Molecular Structure: Theochem
DOI: 10.1016/S0166-1280(98)00427-8

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