How well can theory predict addition-fragmentation equilibrium constants in RAFT polymerization?

Ching Yeh Lin, Michelle L. Coote

Research output: Contribution to journalArticlepeer-review

32 Citations (Scopus)

Abstract

High level ab initio molecular orbital calculations are used to study the additionfragmentation equilibrium constants of S-S'-bis(methyl-2-propionate)- trithiocarbonate mediated polymerization of methyl acrylate in toluene at 30°C. The results, which show strong solvent and chain length effects, are in good order of magnitude agreement with recent experimental results for a closely related system.

Original languageEnglish
Pages (from-to)1479-1483
Number of pages5
JournalAustralian Journal of Chemistry
Volume62
Issue number11
DOIs
Publication statusPublished - 20 Nov 2009
Externally publishedYes

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