Premium
Influence of Alkylaluminum Co‐catalysts on TiCl 4 Transalkylation and Formation of Active Centers C* in Ziegler–Natta Catalysts
Author(s) -
Trischler Heinrich,
Schöfberger Wolfgang,
Paulik Christian
Publication year - 2013
Publication title -
macromolecular reaction engineering
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 32
eISSN - 1862-8338
pISSN - 1862-832X
DOI - 10.1002/mren.201200064
Subject(s) - transalkylation , catalysis , active center , chemistry , propene , polymer chemistry , ziegler–natta catalyst , polymerization , active site , photochemistry , inorganic chemistry , ethylene , polymer , organic chemistry , alkylation
Active center C* formation on Ziegler–Natta catalysts trough reaction with trialkylaluminum co‐catalysts is one prerequisite for the production of polymer. Charge‐transfer complexes of triethylaluminum with chlorocyclohexane can promote transalkylation reaction of dimeric Ti 2 Cl 8 potential active centers. The different transalkylation and hydride transfers are studied by measurement of gaseous products with head space GC‐MS. Four‐ and six‐center transition states for transalkylation reactions on Corradini site are calculated with density functional theory (DFT) and compared in energy. The fast six‐center TS at higher Al/Ti ratios is proposed to be the reason for the over‐reduction of the active center and for the formation of inactive Ti +II species during propene polymerization.