Molecular modeling of the regiochemistry of olefin insertion with single-site polymerization catalysts

被引：0
|
作者：
A. Correa
G. Talarico
L. Cavallo
机构：
[1] Universita di Salerno Baronissi (SA),Dipartimento di Chimica
[2] Universita di Napoli Federico II,Dipartimento di Chimica
来源：
Kinetics and Catalysis | 2006年 / 47卷
关键词：
Isobutyl; Steric Interaction; Metallocene Catalyst; Primary Chain; Propene Insertion;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
The regiochemistry of propene insertion promoted by metallocene and postmetallocene Column 4 metal catalysts is investigated with quantum mechanics techniques. It is shown that steric effects dominate the regiochemistry of monomer insertion with classical metallocene-based catalysts, whereas both electronic and steric effects contribute to the regiochemistry of propene insertion with postmetallocene catalysts.
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页码：170 / 175
页数：5
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