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Study on the role of methylalumoxane in homogeneous olefin polymerization

✍ Scribed by Resconi, Luigi; Bossi, Sandro; Abis, Luigi


Book ID
121300818
Publisher
American Chemical Society
Year
1990
Tongue
English
Weight
302 KB
Volume
23
Category
Article
ISSN
0024-9297

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## Abstract The thermodynamics of the reaction of an ethylene molecule with the Cp~2~TiCH~3~Cl/Al(CH~3~)~2~Cl system (Cp = Ξ·~5~‐C~5~H~5~), as a model for olefin polymerization with homogeneous Ziegler‐Natta catalysts, was investigated via quantum mechanical DFT calculations. The comparison of the c

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DFT (density-functional theory) calculations were performed to investigate the thermodynamics of formation of Olefin Separated Ion Pairs (OSIP) Cp2MtCH~/C2H4/Cl2AI[O(A1Me3)AlHMe]; (Cp = q5-C5H5, Mt = Ti, Zr, Me = CH3) from ethylene and Cp2MtMe \* C12AI[O(AlMe3)A1HMe]2, a model of adduct produced by