E-Z selectivity and growing-chain isomerization reactions in 2-butene/ethene copolymerization by group 4 metallocenes

Luigi Cavallo, Paolo Corradini, Fabia Grisi, Pasquale Longo, Gaetano Guerra

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

Abstract

A large class of widely accepted mechanisms which allow an unprecedent tailoring of the polymerization catalytic systems for both Z and E isomers of internal olefins is investigated. The insertion reactions of Z- and E-butene with catalytic systems based on the C2-symmetric Me2Si(1-indenyl)2 ligand (bisInd in the following) and on the Cs-symmetric Me2Si(cyclopentadienyl-9-fluorenyl) ligand (CpFlu in the following) is studied. A double approach, based on combined quantum mechanics/molecular mechanics (QM/MM) techniques and on selected ethene/2-butene copolymerization runs is utilized. The insertion of Z-butene is favored with Cs-symmetric metallocenes, whereas insertion of E-butene should be favored with Cs-symmetric metallocenes.

Original languageEnglish (US)
Pages (from-to)395-396
Number of pages2
JournalAmerican Chemical Society, Polymer Preprints, Division of Polymer Chemistry
Volume41
Issue number1
StatePublished - Mar 2000
Externally publishedYes

ASJC Scopus subject areas

  • Polymers and Plastics

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