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Silica-supported well-defined Cr(III) sites, which polymerize ethene, are barely reactive towards propene while they copolymerize propene and ethene, a reactivity pattern similar to what is observed for the Phillips catalyst. In contrast to ethene, propene is only polymerized in low amounts and by a small fraction of sites, while during propene/ethene copolymerization small amounts of olefinic oligomers...
Heterolytic CH bond activation of ethylene on CrIIIO has been proposed as the initial step in olefin polymerization on (SiO)3CrIII active sites of molecularly-defined analogues of the Phillips catalyst. Here, by using realistic amorphous periodic models that account for structural complexity, strain, and active site heterogeneity of well-defined silica-supported CrIII-based polymerization catalysts,...
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