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Summary: Binary metallocene‐MAO and ternary diphenylzinc‐metallocene‐MAO initiator systems have been tested as initiators in the homopolymerization of styrene and also in its copolymerization with several diverse comonomers including substituted styrenes, styrene derivatives, α‐olefins and dienes. Various titanocenes and zirconocenes and some exploratory experiment with hafnocene were carried out...
The copolymerization of styrene with isoprene (Ip) has been tested using combined zirconocene–methylaluminoxane (MAO) initiating system. Both “half-sandwich” and real zirconium-based metallocenes were used. Regardless of the metallocene employed, conversion to copolymer was much influenced by the proportion of Ip in the initial feed. As the proportion of Ip is enriched, conversion to copolymer decreases...
Single site olefin polymerisation catalysts are suitable candidates for modelling purposes. Their well-defined structure and the almost complete elucidation of their polymerisation mechanisms, make these organometallic complexes ideal for studies based on quantitative structure-activity relationships (QSAR). Although the QSAR technique is extensively used in drug design, there are very few reports...
A computational study of the ethylene–styrene copolymerization with rac-ethylenebis(tetrahydroindenyl)MCl 2 [M=Ti, Zr] systems using DFT methods is presented. The complexation, coordination and insertion energies for ethylene and styrene monomers as well as for the styrene–ethylene copolymerization steps into the catalytic active site models [Et 2 (IndH 4 ) 2 ]MCH ...
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