Silver Migration Facilitates lsocyanide-Alkyne [3+2] Cycloaddition Reactions: Combined Experimental and Theoretical Study
文献类型：期刊论文
| 作者 | Qi, Xiaotian1; Zhang, Heng3; Shao, Ailong2,3; Zhu, Lei1; Xu, Ting1; Gao, Meng2; Liu C(刘超)3,4 ; Lan, Yu1; Liu C(刘超)
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| 刊名 | ACS Catalysis
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| 出版日期 | 2015 |
| 卷号 | 5期号:11页码:6640-6647 |
| 关键词 | silver migration [3+2] cycloaddition DFT calculation NPA charge competitive experiments |
| ISSN号 | 2155-5435 |
| 通讯作者 | Gao, Meng ; 刘超 ; Lan, Yu |
| 英文摘要 | Silver-mediated isocyanide-alkyne [3 + 2] cycloaddition has been developed as a new method for the synthesis of pyrroles. Density functional theory (DFT) calculations toward this reaction reveal that terminal alkynes participated cycloadditions proceed through two successive 1,5-silver migrations, in which the silver migrates between two carbon atoms and finally returns to original carbon. Natural population analysis (NPA) indicates that silver migration guides the move of charge into a rational way, thereby facilitating the cycloaddition. An analogous silver-migration mechanism is also suitable to explain the reactivity of the cycloaddition between isocyanide and internal alkynes, which shows the generality of the silver-migration process. Moreover, competitive experiments are consistent with the computational results, which provides further support for the mechanism. |
| 学科主题 | 物理化学与绿色催化 |
| 收录类别 | SCI |
| 资助信息 | the National Science Foundation of China (Grants 21372266;51302327;21302148;21272180);the Foundation of 100 Young Chongqing University (Project 0903005203191);the project (No. 106112015CDJZR228806) by the Fundamental Research Funds for Central Universities (Chongqing University) |
| 语种 | 英语 |
| WOS记录号 | WOS:000364441300048 |
| 源URL | [http://210.77.64.217/handle/362003/19073]  |
| 专题 | 兰州化学物理研究所_OSSO国家重点实验室 |
| 通讯作者 | Liu C(刘超) |
| 作者单位 | 1.Chongqing Univ, Sch Chem & Chem Engn, Chongqing 400030, Peoples R China 2.Jiangxi Normal Univ, Natl Res Ctr Carbohydrate Synth, Nanchang 330022, Jiangxi, Peoples R China 3.Wuhan Univ, Coll Chem & Mol Sci, Wuhan 430072, Hubei, Peoples R China 4.Chinese Acad Sci, Lanzhou Inst Chem Phys, State Key Lab Oxo Synth & Select Oxidat, Suzhou Res Inst, Lanzhou 730000, Peoples R China |
| 推荐引用方式 GB/T 7714 | Qi, Xiaotian,Zhang, Heng,Shao, Ailong,et al. Silver Migration Facilitates lsocyanide-Alkyne [3+2] Cycloaddition Reactions: Combined Experimental and Theoretical Study[J]. ACS Catalysis,2015,5(11):6640-6647. |
| APA | Qi, Xiaotian.,Zhang, Heng.,Shao, Ailong.,Zhu, Lei.,Xu, Ting.,...&刘超.(2015).Silver Migration Facilitates lsocyanide-Alkyne [3+2] Cycloaddition Reactions: Combined Experimental and Theoretical Study.ACS Catalysis,5(11),6640-6647. |
| MLA | Qi, Xiaotian,et al."Silver Migration Facilitates lsocyanide-Alkyne [3+2] Cycloaddition Reactions: Combined Experimental and Theoretical Study".ACS Catalysis 5.11(2015):6640-6647. |
入库方式： OAI收割
来源：兰州化学物理研究所
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