Regioselective Bis-Selenation of Allenes Catalyzed by Palladium Complexes: A Theoretical Study
文献类型：期刊论文
| 作者 | Wang MY ; Cheng L ; Hong B ; Wu ZJ |
| 刊名 | organometallics
 |
| 出版日期 | 2009 |
| 卷号 | 28期号:2页码:1506-1513 |
| 关键词 | AB-INITIO BENCHMARK TRANSITION-METAL-COMPLEXES CARBON-MONOXIDE OXIDATIVE ADDITION TERMINAL ALKYNES BOND FORMATION DIPHENYL DISELENIDE DIALKYL DISULFIDES CORRELATION-ENERGY CC BOND |
| ISSN号 | 0276-7333 |
| 通讯作者 | wu zj |
| 中文摘要 | the reaction mechanism of pd(o)-catalyzed allene bis-selenation reactions is investigated by using density functional methods. the overall reaction mechanism has been examined. it is found that with the bulkier pme3 ligand, the rate-determining step is the reductive elimination process, while allene insertion and reductive elimination processes are competitive for the rate-determining step with the ph3 ligand, indicating the importance of the ligand effect. for both cis and trans palladium complexes, allene insertion into the pd-se bond of the trans palladium complex using the internal carbon atom attached to the selenyl group is prefer-red among the four pathways of allene insertion processes. the formation of sigma-allyl and pi-allyl palladium complexes is favored over that of the sigma-vinyl palladium species. by using methylallene, the regioselectivity of monosubstituted allene insertion into the pd-se bond is analyzed. |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000263800700030 |
| 公开日期 | 2010-05-04 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/11747]  |
| 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. Regioselective Bis-Selenation of Allenes Catalyzed by Palladium Complexes: A Theoretical Study[J]. organometallics,2009,28(2):1506-1513. |
| APA | Wang MY,Cheng L,Hong B,&Wu ZJ.(2009).Regioselective Bis-Selenation of Allenes Catalyzed by Palladium Complexes: A Theoretical Study.organometallics,28(2),1506-1513. |
| MLA | Wang MY,et al."Regioselective Bis-Selenation of Allenes Catalyzed by Palladium Complexes: A Theoretical Study".organometallics 28.2(2009):1506-1513. |
入库方式： OAI收割
来源：长春应用化学研究所
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