Influence of transition metal coordination on halogen bonding: CSD survey and theoretical study
文献类型：期刊论文
| 作者 | Wang, Yanhua2; Wu, Weihong1,3; Liu, Yingtao4; Lu, Yunxiang1,3 |
| 刊名 | CHEMICAL PHYSICS LETTERS
 |
| 出版日期 | 2013-07-18 |
| 卷号 | 578页码:38-42 |
| ISSN号 | 0009-2614 |
| DOI | 10.1016/j.cplett.2013.06.005 |
| 文献子类 | Article |
| 英文摘要 | Density functional theory calculations at the level of M06 have been carried out to investigate the influence of transition metal coordinate on halogen bonding. It was found that the introduction of coordination forces leads to much stronger halogen bonds. This effect has been analyzed in detail by the geometric, energetic, electrostatic potential, and AIM properties of the complexes. In addition, some crystal structures extracted from the Cambridge Structural Database were selected to provide experimental evidence of the combination of the two interactions. (C) 2013 Elsevier B. V. All rights reserved. |
| WOS关键词 | DENSITY FUNCTIONALS ; MOLECULAR-STRUCTURE ; ANION-PI ; COMPLEXES ; HYDROGEN ; COOPERATIVITY ; CRYSTAL |
| 资助项目 | Natural Science Foundation of Shanghai[11ZR1408700] ; National Natural Science Foundation of China[21103047] ; Fundamental Research Funds for the Central Universities of China[00000000] |
| WOS研究方向 | Chemistry ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000321560000006 |
| 出版者 | ELSEVIER SCIENCE BV |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/277537]  |
| 专题 | 药物发现与设计中心 |
| 通讯作者 | Lu, Yunxiang |
| 作者单位 | 1.E China Univ Sci & Technol, Dept Chem, Shanghai 200237, Peoples R China; 2.Zhejiang Shuren Univ, Coll Biol & Environm Engn, Hangzhou 310015, Zhejiang, Peoples R China; 3.E China Univ Sci & Technol, Key Lab Adv Mat, Shanghai 200237, Peoples R China; 4.Chinese Acad Sci, Shanghai Inst Mat Med, Drug Discovery & Design Ctr, Shanghai 201203, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang, Yanhua,Wu, Weihong,Liu, Yingtao,et al. Influence of transition metal coordination on halogen bonding: CSD survey and theoretical study[J]. CHEMICAL PHYSICS LETTERS,2013,578:38-42. |
| APA | Wang, Yanhua,Wu, Weihong,Liu, Yingtao,&Lu, Yunxiang.(2013).Influence of transition metal coordination on halogen bonding: CSD survey and theoretical study.CHEMICAL PHYSICS LETTERS,578,38-42. |
| MLA | Wang, Yanhua,et al."Influence of transition metal coordination on halogen bonding: CSD survey and theoretical study".CHEMICAL PHYSICS LETTERS 578(2013):38-42. |
入库方式： OAI收割
来源：上海药物研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。