R&D Division, SASOL Technology (Pty) Ltd., 1 Klasie Havenga Road, Sasolburg, South Africa.
Inorg Chem. 2013 Mar 4;52(5):2268-70. doi: 10.1021/ic302578a. Epub 2013 Feb 8.
A steric parameter (θN-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 θN-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.
引入一个立体参数（θN-sub）来描述用于乙烯三聚和四聚的一系列 PNP 配体中氮原子上的空间位阻。该参数已针对游离配体及其不同的金属配合物进行了计算，并与催化数据进行了比较。θN-sub 值和 1-己烯选择性呈现出特定的趋势，并且随着氮原子上取代基的体积增加，1-辛烯选择性略有增加。
