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Substituent Effects in Xanthate-Mediated Polymerization of Vinyl Acetate: Ab Initio Evidence for an Alternative Fragmentation Pathway

Coote, Michelle; Radom, Leo


High-level ab initio calculations have been performed for the addition and fragmentation steps in reversible addition-fragmentation chain transfer (RAFT) polymerization of vinyl acetate. The RAFT agents considered were a series of xanthates of the form S=C(O-Z′)S-R, where Z′ = methyl, ethyl, iso-propyl, and tert-butyl and R = CH2OCOCH3 and CH3. The results indicate that increasing substitution within the Z′ group stabilizes the RAFT adduct radical, thereby reducing the rate of fragmentation of...[Show more]

CollectionsANU Research Publications
Date published: 2004
Type: Journal article
Source: Macromolecules
DOI: 10.1021/ma035477k


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