(E)-(Z) selectivity in the polymerization of 2-butene promoted by Ni(II) Brookhart-type catalysts

Giuseppe Milano, Gaetano Guerra, Mina Mazzeo, Claudio Pellecchia, Luigi Cavallo*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

15 Scopus citations

Abstract

We offer a rationalization of the different reactivity observed in the polymerization of (E)-and (Z)-2-butene isomers with (α-diimine)Ni(II) complexes, known as "Brookhart catalysts". Quantum mechanics calculations suggest that the two isomers of 2-butene coordinate similarly to the metal and that the slower reactivity of the (Z) isomer is related to stronger steric interactions at the transition state for insertion into the Ni-chain bond. The similar coordination energies suggested that the presence of the (Z) isomer should not inhibit reactivity of the (E) isomer. This point was confirmed with polymerization experiments performed with a 40% (Z)-2-butene:60% (E)-2-butene mixture.

Original languageEnglish (US)
Pages (from-to)2072-2075
Number of pages4
JournalMacromolecules
Volume38
Issue number6
DOIs
StatePublished - Mar 22 2005

ASJC Scopus subject areas

  • Organic Chemistry
  • Polymers and Plastics
  • Inorganic Chemistry
  • Materials Chemistry

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