Origin of the regiochemistry of propene insertion at octahedral column 4 polymerization catalysts: Design or serendipity?

Giovanni Talarico, Vincenzo Busico, Luigi Cavallo*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

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The new octahedral column 4 catalysts bearing phenoxy-amine or phenoxy-imine ligands have opposite regioselectivities in propene polymerization. In this Communication, we report on a QM/MM investigation indicating that one of the key factors controlling the regiochemistry of propene insertion is the nature of the N atoms: steric and electronic effects related to the different hybridization synergically favor 1,2 or 2,1 insertion when the said N's are respectively of amine or imine type.

Original languageEnglish (US)
Pages (from-to)7172-7173
Number of pages2
JournalJournal of the American Chemical Society
Issue number24
StatePublished - Jun 18 2003

ASJC Scopus subject areas

  • Chemistry(all)

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