Understanding tantalum-catalyzed ethylene trimerization: When things go wrong

Yin Chen, Raffaele Credendino, Emmanuel Callens, Muhammad Atiqullah, Mamdouh Ahmed Al-Harthi, Luigi Cavallo, Jean-Marie Basset

Research output: Contribution to journalArticlepeer-review

15 Scopus citations

Abstract

Ethylene oligomerization to linear low-molecular-mass α-olefins is an open industrial challenge. Ta-based catalysts are promising systems, but the unclear understanding of their behavior prevents systematic advances in the field. We demonstrate here that a well-defined (î -SiO)3Ta III species is able to promote ethylene oligo-/polymerization without any cocatalyst, confirming that the active species in Ta systems corresponds to a TaIII species. DFT calculations on a series of Ta systems ranging from ethylene trimerization to ethylene polymerization catalysts highlight the key factors controlling their experimental behavior. Comparison of these Ta systems allows one to set general rules for the rational development of new ethylene Ta oligomerization catalysts. © 2013 American Chemical Society.
Original languageEnglish (US)
Pages (from-to)1360-1364
Number of pages5
JournalACS Catalysis
Volume3
Issue number6
DOIs
StatePublished - May 21 2013

ASJC Scopus subject areas

  • Catalysis

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