Ethylene Tri- and Tetramerization: a Steric Parameter Selectivity Switch from X-ray Crystallography and Computational Analysis

被引：51

作者：

Cloete, Nicoline ^{[1
]}

Visser, Hendrik G. ^{[2
]}

Engelbrecht, Ilana ^{[2
]}

Overett, Matthew J. ^{[1
]}

Gabrielli, William F. ^{[1
]}

Roodt, Andreas ^{[2
]}

机构：

[1] SASOL Technol Pty Ltd, R&D Div, Sasolburg, South Africa

[2] Univ Orange Free State, Dept Chem, Bloemfontein, South Africa

来源：

INORGANIC CHEMISTRY | 2013年 / 52卷 / 05期

关键词：

TRIMERIZATION CATALYSTS; COMPLEXES; MECHANISM;

D O I：

10.1021/ic302578a

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

A steric parameter (theta(N-sub)) is introduced to describe the steric bulk at the nitrogen atom on a range of PNP ligands used in ethylene tri- and tetramerization. This parameter was calculated for the free ligands and different metal complexes thereof and compared to catalytic data. A specific tendency is observed for the value of ON,sub and 1-hexene selectivity, and a slight increase in 1-octene selectivity is found with increased bulkiness of the substituents on the nitrogen atom.

引用

页码：2268 / 2270

页数：3

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