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题名: Modeling study on the catalytic activities of 2-imino-1,10-phenanthrolinylmetal (Fe, Co, and Ni) precatalysts in ethylene oligomerization
作者: Yang, Wenhong1, 2; Ma, Zhifeng1, 2; Sun, Wen-Hua1, 2
刊名: RSC ADVANCES
发表日期: 2016
卷: 6, 期:83, 页:79335-79342
收录类别: SCI
英文摘要: In experiments, transition metal complex systems ligated with the same ligand showed significantly different catalytic activities towards ethylene oligo/polymerization. In this study, the variations of catalytic activities were investigated for series of 2-imino-1,10-phenanthrolinylmetal (Fe, Co and Ni) complexes. Their catalytic activities were evaluated by the multiple linear regression analysis (MLRA). The calculated activities are well consistent with the experimental data, reflecting by the correlation coefficient values (R-2) for most of systems over 0.98. With regard to the influence of the analogue structure on the change of catalytic activities, the MLRA model was modified through using the variation of catalytic activities as response variable and the change of parameters as independent variable. The calculated variation of reaction activities present very good correlation with experimental results with R-2 value closing to 1.0, whereas, the correlation results are relatively low for analogues with different metal atoms. Additionally, the contributions from electronic and steric effects were analyzed to explain the reason for variations of the activities.
语种: 英语
内容类型: 期刊论文
URI标识: http://ir.iccas.ac.cn/handle/121111/35371
Appears in Collections:工程塑料实验室_期刊论文

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作者单位: 1.Chinese Acad Sci, Inst Chem, Beijing Natl Lab Mol Sci, Key Lab Engn Plast, Beijing 100190, Peoples R China
2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
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