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Ab Initio Study of the Addition-Fragmentation Equilibrium in RAFT Polymerization: When is Polymerization Retarded?

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Coote, Michelle

Description

High level ab initio calculations of the addition-fragmentation equilibrium constants at 333 K were performed for model RAFT reactions: R· + S=C(Z)SCH3 → R-SC·(Z)SCH3, for all combinations of Z = CH3 phenyl, or benzyl with R = CH3, benzyl, CH2COOCH3,

CollectionsANU Research Publications
Date published: 2004
Type: Journal article
URI: http://hdl.handle.net/1885/86437
Source: Macromolecules
DOI: 10.1021/ma049444w

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