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Quantitative Structure-Thermostability Relationship of Late Transition Metal Catalysts in Ethylene Oligo/Polymerization
Yang, Wenhong1,2,3; Ma, Zhifeng1,2,3; Yi, Jun1,2,3; Sun, Wen-Hua1,2,3
2017-04-01
Source PublicationCATALYSTS
Volume7Issue:4
AbstractQuantitative 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.
KeywordStructure-thermostability Relationship Late Transition Metal Complex Homogeneous Catalysis Ethylene Polymerization Molecular Modeling
Indexed BySCI
Language英语
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/38525
Collection工程塑料实验室
Affiliation1.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
Recommended Citation
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).
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