Quantitative Study on Variation of Catalytic Activity toward Ethylene Oligomerization by Fe, Co, and Ni Complexes
In our previous study, the catalytic activities of the late transition metal complex precatalysts were investigated and successfully correlated with effective net charge.Recently, the multiple linear regression method was used to study both electronic and steric effects of ligands on catalytic activities.1 Herein, a series of Fe-1, Fe-2 and Fe-3 complexes are calculated with the structures shown in Scheme 1.Their backbones of ligands are very similar, but the reaction activities differ a lot.By the proposed MLRA method, the catalytic activities were modeled and the obtained fitting results show that the correlation coefficients for most of the systems are over 0.98.Furthermore, the variations of catalytic activities were explored to explain the reason.The calculated results indicated that for the system containing similar structure, the variations of catalytic activities between Fe-1 and Fe-2 systems are attributed to electronic effect, while that between Fe-1 and Fe-3 systems are primarily due to steric effect.For the system with different metal centers, such as Fe-3, Co-3 and Ni-3, the electronic and steric effects simultaneously affect variation of catalytic activities.
Zhifeng Ma Wenhong Yang Wen-Hua Sun
Institute of Chemistry, Chinese Academy of Sciences,No.2 North 1st Street, Zhongguancun, Beijing 100190 China
国际会议
9th International Symposium on High-Tech Polymer Materials(第9届国际高技术高分子材料学术会议)(HTPM-9)
郑州
英文
102-102
2016-07-11（万方平台首次上网日期，不代表论文的发表时间）