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化学学报
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化学学报 ›› 2006, Vol. 64 ›› Issue (3): 191-197.    下一篇

研究论文

几个超分子体系中非常规键的AIM分析

朱瑞新1，祝诗发1，周俊红2，陈敏伯*,1,2   

  1. (1中国科学院上海有机化学研究所 上海 200032)
    (2华东理工大学化学系 上海 200237)
  • 投稿日期:2005-10-12 修回日期:2005-12-19 发布日期:2006-02-14
  • 通讯作者: 陈敏伯

AIM Analysis of Unconventional Bonds in Some Supramolecular Systems

  1. (1 Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai 200032)
    (2 Department of Chemistry, East China University of Science and Technology, Shanghai 200237)
  • Received:2005-10-12 Revised:2005-12-19 Published:2006-02-14
  • Contact: CHEN Min-Bo

PDF

1397

被引次数

7

对五个含氟分子自组装形成的晶体进行了AIM (Atoms in Molecules)分析, 观察到、并定量地描述了这些晶体中大量存在的氟原子相关的非常规弱相互作用力; 并且找到一个完全由F…O弱相互作用主导的超分子自组装晶体.

关键词: 超分子, 非常规键, 氟原子, AIM分析

Five crystals containing fluorine atoms were prepared. The electronic structures of these crystals were studied theoretically and a lot of unconventional weak interaction were found. Particularly, one of these crystals was self-assembled by overwhelming weak F…O bonds, not hydrogen bonds.