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.

引用

页码：170 / 175

页数：5