| Catalytic activity correlation of Ni(Ⅱ),Co(Ⅱ) and Pd(Ⅱ) complexes to metal atom net charge |
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| 作者姓名： | HSU Shaw Ling |
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| 作者单位： | Department;Polymer;Science;Engineering;University;Massachusetts;Amherst; |
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| 基金项目： | Supported by the National Natural Science Foundation of China (Grant Nos. 90612015, 20674090, and 20474073);;973 Project (Grant No. 2004CB720606) |
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| 摘 要： | The metal atom net charge correlation(MANCC) method was developed in prediction of catalyst activity of asymmetric late-transition metal complexes,2-quinoxalinyl-6-iminopyridine Ni(Ⅱ),2-imino-1,10-phenanthroline Co(Ⅱ) and 2-methoxycarbonyl-6-iminopyridine Pd(Ⅱ) complexes,from the net charge of the metal atom for ethylene polymerization.Dreiding force field was modified according to the X-ray diffraction data.We found that the asymmetric structure of the complexes resulted in a charge differ-ence between two...
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