Density functional study on the reaction mechanism of palladium-catalyzed addition of cyanoboranes to Alkynes
文献类型：期刊论文
| 作者 | Wang MY ; Cheng L ; Wu ZJ |
| 刊名 | journal of computational chemistry
 |
| 出版日期 | 2008 |
| 卷号 | 29期号:11页码:1825-1839 |
| 关键词 | TRANSITION-METAL-COMPLEXES COPPER(I) BORYL COMPLEXES OXIDATIVE ADDITION INTRAMOLECULAR CYANOBORATION STEREOSELECTIVE-SYNTHESIS ORGANOBORON COMPOUNDS H BONDS B BONDS DIBORATION DFT |
| ISSN号 | 0192-8651 |
| 通讯作者 | wu zj |
| 中文摘要 | the b3lyp hybrid density functional method has been carried out to study theoretically the mechanisin of pd(0)-catalyzed alkyne cyanoboration reaction. both the intermolecular and intramolecular alkyne cyanoboration reactions were studied. for each reaction, three paths were proposed. in path a of each reaction, the first step is b-cn bond oxidative addition to bisphosphine complex pd(ph3)(2), in path b of each reaction, the first step is alkyne coordination to bisphosphine complex pd(ph3)2, and in path c of each reaction, the first step is the ph3 dissociation front pd(ph3)2 to form monophosphine complex pd(ph3) for both reactions, path b is favored. |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000258358100014 |
| 公开日期 | 2010-04-14 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/10593]  |
| 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,Wu ZJ. Density functional study on the reaction mechanism of palladium-catalyzed addition of cyanoboranes to Alkynes[J]. journal of computational chemistry,2008,29(11):1825-1839. |
| APA | Wang MY,Cheng L,&Wu ZJ.(2008).Density functional study on the reaction mechanism of palladium-catalyzed addition of cyanoboranes to Alkynes.journal of computational chemistry,29(11),1825-1839. |
| MLA | Wang MY,et al."Density functional study on the reaction mechanism of palladium-catalyzed addition of cyanoboranes to Alkynes".journal of computational chemistry 29.11(2008):1825-1839. |
入库方式： OAI收割
来源：长春应用化学研究所
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