Study on the role of methylalumoxane in homogeneous olefin polymerization
β 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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π SIMILAR VOLUMES
## 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~βC~5~H~5~), as a model for olefin polymerization with homogeneous ZieglerβNatta catalysts, was investigated via quantum mechanical DFT calculations. The comparison of the c
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