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]
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