Effect of substituants on radical stability in reversible addition fragmentation chain transfer polymerization: An ab initio study

Michelle L. Coote*, David J. Henry

*Corresponding author for this work

    Research output: Contribution to journalArticlepeer-review

    100 Citations (Scopus)

    Abstract

    The substituents effects on radical stability in the reversible addition fragmentation chain transfer (RAFT) polymerization process was investigated using high level ad initio molecular orbital calculations. The RAFT-adduct radicals were stabilized by electron donation from the two sulfur substituents. It was observed that the lone pair donor Z-substituents had smaller effect on radical stability. The results show that the substituent effects on the RAFT agents were qualitatively different and the agents were srongly stabilized by the lone pair donor Z-substituents.

    Original languageEnglish
    Pages (from-to)1415-1433
    Number of pages19
    JournalMacromolecules
    Volume38
    Issue number4
    DOIs
    Publication statusPublished - 22 Feb 2005

    Fingerprint

    Dive into the research topics of 'Effect of substituants on radical stability in reversible addition fragmentation chain transfer polymerization: An ab initio study'. Together they form a unique fingerprint.

    Cite this