Reliable Low-Cost Theoretical Procedures for Studying Addition-Fragmentation in RAFT Polymerization

Izgorodina, Ekaterina; Coote, Michelle

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Reliable Low-Cost Theoretical Procedures for Studying Addition-Fragmentation in RAFT Polymerization

Date

2006

Authors

Izgorodina, Ekaterina

Coote, Michelle

Publisher

American Chemical Society

Abstract

Enthalpies for the β-scission reactions, R′SC ̇(Z)SR → R′SC(Z)=S + ̇R (for R, R′ = CH3, CH2CH3, CH2-CN, C(CH3)2CN, CH2COOCH3, CH(CH 3)COOCH3, CH2OCOCH3, CH 2Ph, C(CH3)2Ph, and CH(CH3)Ph and Z = CH3, H, Cl, CN, CF3, NH2, Ph,-CH 2Ph, OCH3, OCH2CH