Metalloids as halogen bond acceptors: A combined crystallographic data and theoretical investigation
文献类型：期刊论文
| 作者 | Hong, Yumei1,3; Lu, Yunxiang1,3; Zhu, Zhengdan2; Xu, Zhijian2 ; Liu, Honglai1,3
|
| 刊名 | CHEMICAL PHYSICS LETTERS
 |
| 出版日期 | 2020-04-16 |
| 卷号 | 745页码:6 |
| 关键词 | Metalloids Halogen bonds Crystal structures Theoretical Pseudohalide ions |
| ISSN号 | 0009-2614 |
| DOI | 10.1016/j.cplett.2020.137270 |
| 通讯作者 | Lu, Yunxiang(yxlu@ecust.edu.cn) |
| 英文摘要 | According to our search of the Cambridge Structural Database (CSD), a number of crystal structures containing Groups 15 and 16 metalloids as halogen bond acceptors have been extracted. On the basis of the CSD survey results, triphenyl-pnictogen (Ph(3)Pn) and diphenyl-chalcogen (Ph(2)Ch) molecules, together with benzimidazole-2chalcogenones (PhN2C=Ch) and triatomic pseudohalide anions (PnCCh(-)), were selected as acceptors to study. Our calculations showed that the chalcogenone compounds PhN2C=Ch serve as better halogen bond acceptors in comparison with the chalcogenide species Ph(2)Ch. Particularly, the properties of halogen bonds formed by both the Ph and Ch ends in PnCCh(-) were characterized. |
| WOS关键词 | CHALCOGEN ; THIOCYANATE ; COMPLEXES |
| 资助项目 | National Natural Science Foundation of China[91834301] ; National Key Research and Development Program of China[2017YFB0202601] |
| WOS研究方向 | Chemistry ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000522555300023 |
| 出版者 | ELSEVIER |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/280930]  |
| 专题 | 中国科学院上海药物研究所 |
| 通讯作者 | Lu, Yunxiang |
| 作者单位 | 1.East China Univ Sci & Technol, Dept Chem, Shanghai 200237, Peoples R China 2.Chinese Acad Sci, Drug Discovery & Design Ctr, Shanghai Inst Mat Med, Shanghai 201203, Peoples R China 3.East China Univ Sci & Technol, Key Lab Adv Mat, Shanghai 200237, Peoples R China |
| 推荐引用方式 GB/T 7714 | Hong, Yumei,Lu, Yunxiang,Zhu, Zhengdan,et al. Metalloids as halogen bond acceptors: A combined crystallographic data and theoretical investigation[J]. CHEMICAL PHYSICS LETTERS,2020,745:6. |
| APA | Hong, Yumei,Lu, Yunxiang,Zhu, Zhengdan,Xu, Zhijian,&Liu, Honglai.(2020).Metalloids as halogen bond acceptors: A combined crystallographic data and theoretical investigation.CHEMICAL PHYSICS LETTERS,745,6. |
| MLA | Hong, Yumei,et al."Metalloids as halogen bond acceptors: A combined crystallographic data and theoretical investigation".CHEMICAL PHYSICS LETTERS 745(2020):6. |
入库方式： OAI收割
来源：上海药物研究所
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