Ti–C bond formation reactions in post-titanocene catalytic systems for alkene polymerization: a DFT studyстатья
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Дата последнего поиска статьи во внешних источниках: 8 февраля 2017 г.
Аннотация:The quantum-chemical modeling of post-titanocene catalytic
systems for alkene polymerization suggests that the activation
effect of Mg-containing compounds in alkene polymerization
may be caused by a greater exothermicity of Cl ligand
exchange in bi- and trinuclear heterocomplexes of Ti, Mg
and Al for the alkyl group of AlR3 with respect to a Ti
complex and their higher stability and reactivity toward
alkenes, as compared to Ti and Al compounds formed in the
Mg-free system.