Quantitative Structure-Thermostability Relationship of Late Transition Metal Catalysts in Ethylene Oligo/Polymerization
文献类型：期刊论文
| 作者 | Yang, Wenhong1,2,3; Ma, Zhifeng1,2,3; Yi, Jun1,2,3; Sun, Wen-Hua1,2,3
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| 刊名 | CATALYSTS
 |
| 出版日期 | 2017-04-01 |
| 卷号 | 7期号:4 |
| 关键词 | Structure-thermostability Relationship Late Transition Metal Complex Homogeneous Catalysis Ethylene Polymerization Molecular Modeling |
| 英文摘要 | Quantitative structure-thermostability relationship was carried out for four series of bis(imino) pyridine iron (cobalt) complexes and alpha-diimine nickel complexes systems in ethylene oligo/polymerization. Three structural parameters were correlated with thermal stability, including bond order of metal-nitrogen (B), minimum distance (D) between central metal and ortho-carbon atoms on the aryl moiety and dihedral angle (alpha) of a central five-membered ring. The variation degree of catalytic activities between optimum and room temperatures (A(T)) was calculated to describe the thermal stability of the complex. By multiple linear regression analysis (MLRA), the thermal stability presents good correlation with three structural parameters with the correlation coefficients (R-2) over 0.95. Furthermore, the contributions of each parameter were evaluated. Through this work, it is expected to help the design of a late transition metal complex with thermal stability at the molecular level. |
| 语种 | 英语 |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/38525]  |
| 专题 | 化学研究所_工程塑料实验室 |
| 作者单位 | 1.Chinese Acad Sci, Key Lab Engn Plast, Inst Chem, Beijing 100190, Peoples R China 2.Chinese Acad Sci, Beijing Natl Lab Mol Sci, Inst Chem, Beijing 100190, Peoples R China 3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yang, Wenhong,Ma, Zhifeng,Yi, Jun,et al. Quantitative Structure-Thermostability Relationship of Late Transition Metal Catalysts in Ethylene Oligo/Polymerization[J]. CATALYSTS,2017,7(4). |
| APA | Yang, Wenhong,Ma, Zhifeng,Yi, Jun,&Sun, Wen-Hua.(2017).Quantitative Structure-Thermostability Relationship of Late Transition Metal Catalysts in Ethylene Oligo/Polymerization.CATALYSTS,7(4). |
| MLA | Yang, Wenhong,et al."Quantitative Structure-Thermostability Relationship of Late Transition Metal Catalysts in Ethylene Oligo/Polymerization".CATALYSTS 7.4(2017). |
入库方式： OAI收割
来源：化学研究所
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