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- W2767795893 abstract "Propylene polymerization mechanism was investigated with density functional theory (DFT) using TiCln(OR)(4–n) catalysts, with active centers such as [TiCl2Et]+, [TiCl(OEt)Et]+, [TiCl(OPh)Et]+, or [Ti(OEt)2Et]+. Improving the stereoselectivity of Ziegler–Natta catalyst through introducing alkoxy groups, the active center became asymmetric structure, and consequently the polymerization of propylene using [TiCl(OEt)Et]+ and [TiCl(OPh)Et]+ was in 1,2-mode from the Re enantioface. Moreover, the polymerization using [Ti(OEt)2Et]+ with symmetric structure was favorable in 1,2-mode, but showed no stereoselectivity during polymerization. The results are supported by experimental studies of propylene polymerization using the MgCl2-supported TiCln(OR)(4–n) catalysts with triethylaluminum (TEA) as a co-catalyst. The present results demonstrated that propylene polymerization can be controlled through appropriate selection of R-in TiCln(OR)(4–n)." @default.
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- W2767795893 date "2018-10-01" @default.
- W2767795893 modified "2023-10-09" @default.
- W2767795893 title "Propylene polymerization using TiCln(OR)(4–n) catalysts: Theoretical analysis and experimental investigation" @default.
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- W2767795893 doi "https://doi.org/10.1016/j.jorganchem.2017.11.008" @default.
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