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  • 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]
  • 了解更多请进入: 张天柱教授个人网站
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