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化学学报
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化学学报 ›› 2010, Vol. 68 ›› Issue (08): 798-802. 上一篇    下一篇

研究论文

β-环糊精与麝香草酚超分子化合物在固态和溶液中的结构

樊志*，郭敏杰，董斌，景作亮，陈鑫，刁春华   

  1. (天津科技大学理学院 天津 300457)
  • 投稿日期:2009-07-07 修回日期:2009-10-13 发布日期:2010-12-03
  • 通讯作者: 樊志 E-mail:zhifan@tust.edu.cn

Structure of the β-Cyclodextrin-thymol Supramolecular Complex in the Solid State and in Solution

zhi fan,Xin Chen,Chunhua Diao,Bin Dong,Minjie Guo,ZuoLiang Jing   

  1. (College of Sciences, Tianjin University of Science and Technology, Tianjin 300457)
  • Received:2009-07-07 Revised:2009-10-13 Published:2010-12-03
  • Contact: zhi fan E-mail:zhifan@tust.edu.cn

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合成了β-环糊精与麝香草酚的包合物1, 利用X射线衍射和核磁技术分别测定了包合物在固态和溶液中的包结行为. 晶体学研究表明, 每个β-环糊精的空腔都包含一个麝香草酚分子, 并通过大口端羟基间的氢键形成了头对头的二聚体, 进而形成了通道状的多聚超分子结构. 二维核磁研究表明, 在水溶液中麝香草酚进入环糊精的空腔形成了主客体包合物.

关键词: β-环糊精, 麝香草酚, 包结络合物, 晶体结构, 超分子

The weak interaction inclusion complex 1 with thymol included in the hydrophobic cavity of β-cyclodextrin, was synthesized and characterized. Its binding behavior was investigated by means of X-ray crystallography and NMR spectroscopy in solution and in the solid state. The crystallographic study has been shown that the inclusion complex 1 forms channel-type supramolecule. The solid state structure indicates that the inclusion complex consists of a head-to-head dimer of β-cyclodextrin formed by hydrogen bonding across the secondary hydroxyl faces of the adjacent β-cyclodextrin molecule, with one guest molecule in each β-cyclodextrin cavity. Furthermore, the studies of 2D NMR spectra indicate that the thymol molecule is embedded in the β-cyclodextrin cavity to form host-guest inclusion complex in aqueous solution.

Key words: β-cyclodextrin, thymol, inclusion complex, crystal structure, supramolecule