Heterocyclic Annelated Di(perylene bisimide): Constructing Bowl-Shaped Perylene Bisimides by the Combination of Steric Congestion and Ring Strain
文献类型：期刊论文
| 作者 | Qian, Hualei2,3; Yue, Wan2,3; Zhen, Yonggang2,3; Di Motta, Simone1; Di Donato, Eugenio1; Negri, Fabrizia1; Qu, Jianqiang4; Xu, Wei2; Zhu, Daoben2; Wang, Zhaohui2 |
| 刊名 | JOURNAL OF ORGANIC CHEMISTRY
 |
| 出版日期 | 2009-08-21 |
| 卷号 | 74期号:16页码:6275-6282 |
| ISSN号 | 0022-3263 |
| DOI | 10.1021/jo901285k |
| 英文摘要 | In this paper, we present the synthesis of S- and N-heterocyclic annelated di(perylene bisimide) With extraordinary doubly bowl-shaped structures. The structures of fused PBI bowls confirmed by single-crystal X-ray structure analysis and temperature-dependent (1)H NMR are realized by the introduction of the steric congestion in nonbay regions and by the concurrent formation of the five-membered heterorings strain in bay regions. On the basis of the geometry obtained from the X-ray analysis, the maximum POAV1 pyramidalization angle is found in N-heterocyclic annelated diPBI 7, as large as 4.7 degrees. indicating the formation of two PBI bowls with significant curvatures. Furthermore, to assist the electrochemical and spectroscopic characterization of the two bowl-shaped derivatives and to assess the influence of heteroatoms on the bowl curvature, quantum-chemically optimized atomic structure, electronic properties, and optical signatures were computed with density functional theory. |
| 语种 | 英语 |
| WOS记录号 | WOS:000268907300061 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/66013]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Negri, Fabrizia |
| 作者单位 | 1.Univ Bologna, Dipartimento Chim G Ciamician, I-40126 Bologna, Italy 2.Chinese Acad Sci, Beijing Natl Lab Mol Sci, Key Lab Organ Solids, Inst Chem, Beijing 100864, Peoples R China 3.Chinese Acad Sci, Grad Sch, Beijing 100190, Peoples R China 4.BASF AG, D-67056 Ludwigshafen, Germany |
| 推荐引用方式 GB/T 7714 | Qian, Hualei,Yue, Wan,Zhen, Yonggang,et al. Heterocyclic Annelated Di(perylene bisimide): Constructing Bowl-Shaped Perylene Bisimides by the Combination of Steric Congestion and Ring Strain[J]. JOURNAL OF ORGANIC CHEMISTRY,2009,74(16):6275-6282. |
| APA | Qian, Hualei.,Yue, Wan.,Zhen, Yonggang.,Di Motta, Simone.,Di Donato, Eugenio.,...&Wang, Zhaohui.(2009).Heterocyclic Annelated Di(perylene bisimide): Constructing Bowl-Shaped Perylene Bisimides by the Combination of Steric Congestion and Ring Strain.JOURNAL OF ORGANIC CHEMISTRY,74(16),6275-6282. |
| MLA | Qian, Hualei,et al."Heterocyclic Annelated Di(perylene bisimide): Constructing Bowl-Shaped Perylene Bisimides by the Combination of Steric Congestion and Ring Strain".JOURNAL OF ORGANIC CHEMISTRY 74.16(2009):6275-6282. |
入库方式： OAI收割
来源：化学研究所
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