Reaction Mechanism of Palladium-Catalyzed Silastannation of Allenes by Density Functional Theory
文献类型：期刊论文
| 作者 | Wang MY ; Cheng L ; Hong B ; Wu ZJ |
| 刊名 | journal of computational chemistry
 |
| 出版日期 | 2009 |
| 卷号 | 30期号:9页码:1521-1531 |
| 关键词 | COPPER(I) BORYL COMPLEXES REGIOSELECTIVE SILABORATION BONDS DIBORATION SILICON SN SI MOLECULES ALDEHYDES ADDITIONS |
| ISSN号 | 0192-8651 |
| 通讯作者 | wu zj |
| 中文摘要 | the reaction mechanism of pd(o)-catalyzed allenes silastannation reaction is investigated by the density functional method b3lyp. the overall reaction mechanism is examined. for the allene insertion step, the pd-si bond is preferred over the pd-sn bond. the electronic mechanism of the allene insertion into pd-si bond to form sigma-vinylpalladium (terminal-insertion) and sigma-allylpalladium (internal-insertion) insertion products is discussed ill terms of the electron donation and back-donation. it is found that the electron back-donation is significant for both terminal- and internal-insertion. during allene insertion into pd-si bond, internal-insertion is preferred over terminal-insertion. by using methylallene, the regio-selectivity for the monosubstituted allene insertion into pd-si and pd-sn bond is analyzed. |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000266176300015 |
| 公开日期 | 2010-05-04 |
| 源URL | [http://202.98.16.49/handle/322003/11741]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Wang MY,Cheng L,Hong B,et al. Reaction Mechanism of Palladium-Catalyzed Silastannation of Allenes by Density Functional Theory[J]. journal of computational chemistry,2009,30(9):1521-1531. |
| APA | Wang MY,Cheng L,Hong B,&Wu ZJ.(2009).Reaction Mechanism of Palladium-Catalyzed Silastannation of Allenes by Density Functional Theory.journal of computational chemistry,30(9),1521-1531. |
| MLA | Wang MY,et al."Reaction Mechanism of Palladium-Catalyzed Silastannation of Allenes by Density Functional Theory".journal of computational chemistry 30.9(2009):1521-1531. |
入库方式： OAI收割
来源：长春应用化学研究所
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