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- W2010098210 abstract "Theoretical ab initio methods have been used to study the alkylation reaction of the MgCl2-supported TiCl4 catalyst. Investigation of the reaction path indicated that the Al(CH3)3 co-catalyst inserts into the coordination sphere of the titanium atom of the catalyst so that a methyl group of Al(CH3)3 interacts with the titanium. The methyl group migrates from Al(CH3)3 to the vacant coordination site of the catalyst. When the catalyst loses one of its chlorine atoms to the co-catalyst during this reaction, the catalyst maintains its vacant site, but the position of the vacant site changes. The presence of the external electron donor coordinated to the co-catalyst makes the alkylation reaction energetically more favourable." @default.
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- W2010098210 date "1997-06-01" @default.
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- W2010098210 title "Theoretical investigations on Ziegler-Natta catalysis: Alkylation of the TiCl4 catalyst" @default.
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- W2010098210 doi "https://doi.org/10.1016/s1381-1169(96)00433-5" @default.
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