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Conformational dependence of the penultimate unit effect in free-radical copolymerization

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


The reaction barriers for the addition of various gamma-substituted propyl radicals to alkenes were obtained via ab initio molecular orbital calculations. The reactions studied were the additions of 3X-propyl (X = H, F) to CH2=CHF, 3X-propyl (X = H, CN) to CH2=CHCN, and 3X-propyl (X = H, CN) to CH2=CHNH2. The results indicate that the gamma substituent effect (i.e., penultimate unit effect) on the reaction barrier is strongly dependent on the conformations of the reacting radical and transition...[Show more]

CollectionsANU Research Publications
Date published: 1999
Type: Journal article
Source: Macromolecules


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