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PCNCP Ligands in the Chromium‐Catalyzed Oligomerization of Ethylene: Tri‐ versus Tetramerization
Author(s) -
Klemps Christian,
Payet Elina,
Magna Lionel,
Saussine Lucien,
Le Goff Xavier F.,
Le Floch Pascal
Publication year - 2009
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.200900986
Subject(s) - methylaluminoxane , ethylene , steric effects , chemistry , chromium , phosphine , catalysis , polymer chemistry , density functional theory , ethylene diamine , stereochemistry , organic chemistry , computational chemistry , polymer , metallocene , polymerization , nuclear chemistry
Chromium(III) complexes bearing R′N(CH 2 PR 2 ) 2 (PCNCP) ligands have been prepared. Upon activation with methylaluminoxane, these complexes proved to be effective in the selective tri‐ and tetramerization of ethylene. The formation of either 1‐hexene or 1‐octene was found to be highly dependent on the steric bulk of the substituents R on the phosphine moieties. This observation was rationalized by using density functional theory calculations on selected steps of the metallacyclic mechanism of the ethylene oligomerization reaction.