A model for the homogeneous isospecific Ziegler–Natta polymerization of olefins: Enantioselectivity in the deuteration and deuteriooligomerization of 1‐alkenes

Luigi Cavallo, Gaetano Guerra, Michele Vacatello, Paolo Corradini*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

19 Scopus citations

Abstract

The enantioselectivity found in homogeneous isospecific Ziegler–Natta catalysts for the insertion of 1‐alkenes in metal–deuterium or in metalisobutyl bonds is discussed from a theoretical point of view. Nonbonded energy calculations, based on a model of the catalytic site previously proposed by us, indicate that the strong enantioselectivity found in the insertion of 1‐alkenes in a metal–isobutyl bond is drastically reduced in the presence of a metal–deuterium bond. In particular, a weak enantioselectivity in favour of a monomer coordinated with the opposite chirality (lower for the case of 1‐butene, higher for the case of styrene) is shown to occur in the latter case.

Original languageEnglish (US)
Pages (from-to)299-306
Number of pages8
JournalChirality
Volume3
Issue number4
DOIs
StatePublished - Jan 1 1991

Keywords

  • 1‐pentene
  • conformational analysis
  • metallocene/methylalumoxane systems
  • nonbonded interactions
  • styrene

ASJC Scopus subject areas

  • Analytical Chemistry
  • Catalysis
  • Pharmacology
  • Drug Discovery
  • Spectroscopy
  • Organic Chemistry

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