- Influence of Electronic Effect on Catalytic Activity of Salicylaldiminato Nickel (II) Complexes
- 来源：张天柱教授个人网站
2015-11-03
- A means of correlation between the activity and the net charge, the metal
atom net charge correlation (MANCC), which was successful in the activity prediction
of the early-transition metal catalysts, has been used to study the catalytic activities of
salicylaldiminato Ni(II) complexes, the late-transition metal catalysts, in olefin polymerization
or oligomerization. A comparison with the available quantum mechanics/
molecular mechanics (QM/MM) calculation data suggests that even without a detailed
mechanism, MANCC results mostly agree with QM/MM calculation data regarding
insertion barrier data and enthalpy change. Eight experimental complexes were further
built up by modeling; their catalytic activities predominantly increased in line with
the net charges on the metal atoms. The same results were obtained for the other four
complexes synthesized in the present work.
- [来源：中国聚合物网]