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首页> 外文期刊>Crystal growth & design >Supramolecular Frameworks Constructed by Exclusion Complexes of Symmetric Dicyclohexanocucurbit[6]uril with Benzene Ring-Containing Guests
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Supramolecular Frameworks Constructed by Exclusion Complexes of Symmetric Dicyclohexanocucurbit[6]uril with Benzene Ring-Containing Guests

机译:由对称复合物构成的对称复合物的超分子框架与含苯戒指的客人的对称二环己内胶(Hymmetric)

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摘要

Supramolecular interactions between symmetric dicyclohexanocucurbit[6]uril (CyH(2)Q[6]) and five benzene ring-containing guests have been studied by various techniques, such as X-ray crystallography, H-1 NMR spectroscopy, mass spectrometry, and quantum chemistry calculations. X-ray crystallography shows that the exclusion complexes of CyH(2)Q[6] with guests generate supramolecular assemblies with multidimensional and multilevel frameworks. The supramolecular interactions include portal interactions between the negatively electrostatic potential portals of CyH(2)Q[6] and the terminal groups of the guests, and the outer-surface interaction between the positively electrostatic potential outer surface of the CyH(2)Q[6] and the benzene ring of the guests. In aqueous solution, the experimental data and quantum chemistry calculation results show that all the guests prefer exo binding with CyH(2)Q[6].
机译:通过各种技术,如X射线晶体学、H-1核磁共振波谱、质谱和量子化学计算,研究了对称双环己基脲(CyH(2)Q[6])与五个含苯环的客体之间的超分子相互作用。X射线晶体学表明,CyH(2)Q[6]与客体的排斥复合物生成具有多维和多层次框架的超分子组装体。超分子相互作用包括CyH(2)Q[6]负静电势入口与客体端基之间的入口相互作用,以及CyH(2)Q[6]正静电势外表面与客体苯环之间的外表面相互作用。在水溶液中,实验数据和量子化学计算结果表明,所有的客体都倾向于与CyH(2)Q[6]进行外显结合。

著录项

  • 来源
    《Crystal growth & design》 |2021年第5期|共9页
  • 作者单位

    Guizhou Univ Key Lab Macrocycl &

    Supramol Chem Guizhou Prov Guiyang 550025 Peoples R China;

    Guizhou Univ Key Lab Macrocycl &

    Supramol Chem Guizhou Prov Guiyang 550025 Peoples R China;

    Guizhou Univ Key Lab Macrocycl &

    Supramol Chem Guizhou Prov Guiyang 550025 Peoples R China;

    Guizhou Univ Key Lab Macrocycl &

    Supramol Chem Guizhou Prov Guiyang 550025 Peoples R China;

    Guizhou Univ Key Lab Macrocycl &

    Supramol Chem Guizhou Prov Guiyang 550025 Peoples R China;

    Guizhou Univ Key Lab Macrocycl &

    Supramol Chem Guizhou Prov Guiyang 550025 Peoples R China;

    Anhui Univ Technol Coll Chem &

    Chem Engn Maanshan 243002 Peoples R China;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 晶体学;
  • 关键词

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