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. |
入库方式： OAI收割
来源：化学研究所
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