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

Ching Yeh Lin, Michelle L. Coote

    Research output: Contribution to journalArticlepeer-review

    42 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 - 2009

    Fingerprint

    Dive into the research topics of 'How well can theory predict addition-fragmentation equilibrium constants in RAFT polymerization?'. Together they form a unique fingerprint.

    Cite this