A Density Functional Study on Ethylene Trimerization and Tetramerization Using Real Sasol Cr-PNP Catalysts
To gain molecular-level insight into the intricate features of the catalytic behavior of chromium–diphosphine complexes regarding ethylene tri- and tetramerizations, we performed density functional theory (DFT) calculations. The selective formation of 1-hexene and 1-octene by the tri- and tetrameriz...
Main Authors: | , |
---|---|
Format: | Article |
Language: | English |
Published: |
MDPI AG
2023-03-01
|
Series: | Molecules |
Subjects: | |
Online Access: | https://www.mdpi.com/1420-3049/28/7/3101 |