中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
Molecular modeling on the prediction of silolene-bridged indenyl metallocene catalysts for isotactic polypropylene

文献类型:期刊论文

作者Guo, DW; Yang, XZ; Yang, L; Li, YF; Liu, TQ; Hong, H; Hu, YL
刊名JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY
出版日期2000-06-15
卷号38期号:12页码:2232-2238
关键词Metallocene Silolene Bridge Activity Isotacticity Molecular Mechanics Charge Equilibration Method
ISSN号0887-624X
英文摘要Two new silolene-bridged metallocenes for isotactic polypropylene, racemic (1,4-butanediyl) silylene-bis (1-eta(5)-2-methyl-indenyl) dichlorozironium and racemic diphenyl silylene-bis (1-eta(5)-2-methyl-indenyl) dichlorozironium, were designed in terms of the mechanism and concept of the activity and selectivity of metallocenes. The predictions on which the designs were based were carried out for four metallocene catalysts through molecular modeling methods such as molecular mechanics and charge equilibrium. In a comparison of the data from three of the catalysts that were successfully synthesized, the predicted orders of the activity and selectivity were consistent. This shows that classical methods such as charge equilibrium are useful in predicting the activity of catalysts. (C) 2000 John Wiley & Sons, Inc.
语种英语
WOS记录号WOS:000087239700011
出版者JOHN WILEY & SONS INC
源URL[http://ir.iccas.ac.cn/handle/121111/76021]  
专题中国科学院化学研究所
通讯作者Yang, XZ
作者单位1.Chinese Acad Sci, Inst Chem, Ctr Mol Sci, Polymer Phys Lab, Beijing 100080, Peoples R China
2.Chinese Acad Sci, Inst Chem, Ctr Mol Sci, State Key Lab Engn Plast, Beijing 100080, Peoples R China
推荐引用方式
GB/T 7714
Guo, DW,Yang, XZ,Yang, L,et al. Molecular modeling on the prediction of silolene-bridged indenyl metallocene catalysts for isotactic polypropylene[J]. JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY,2000,38(12):2232-2238.
APA Guo, DW.,Yang, XZ.,Yang, L.,Li, YF.,Liu, TQ.,...&Hu, YL.(2000).Molecular modeling on the prediction of silolene-bridged indenyl metallocene catalysts for isotactic polypropylene.JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY,38(12),2232-2238.
MLA Guo, DW,et al."Molecular modeling on the prediction of silolene-bridged indenyl metallocene catalysts for isotactic polypropylene".JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY 38.12(2000):2232-2238.

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来源:化学研究所

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