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化学学报
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化学学报 ›› 2007, Vol. 65 ›› Issue (15): 1449-1453. 上一篇    下一篇

研究论文

β-环糊精与水杨酸包合物的合成与结构

樊志*,1, 刁春华1, 宋海斌2, 景作亮1, 郁铭1, 陈鑫1, 郭敏杰1   

  1. (1天津科技大学理学院 天津 300222)
    (2南开大学化学系 天津 300071)
  • 投稿日期:2006-10-16 修回日期:2007-01-13 发布日期:2007-08-14
  • 通讯作者: 樊志

Synthesis and Structure of the Inclusion Complex of β-Cyclodextrin and Salicylic Acid

FAN Zhi*,1; DIAO Chun-Hua1; SONG Hai-Bin2; JING Zuo-Liang1; YU Ming1; CHEN Xin1; GUO Min-Jie1   

  1. (1 College of Sciences, Tianjin University of Science and Technology, Tianjin 300222)
    (2 State Key Laboratory of Elemento-Organic Chemistry, Nankai Univer-sity, Tianjin 300071)
  • Received:2006-10-16 Revised:2007-01-13 Published:2007-08-14
  • Contact: FAN Zhi

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合成了β-环糊精与水杨酸的包合物b-cyclodextrin-salicylic acid (β-CD-sal) [(C42H70O35)2•(C7H6O3)2•(H2O)24], 用X射线单晶衍射、元素分析和核磁共振对其分子结构进行了表征. X射线单晶衍射结果表明: 包合物的晶体属于单斜晶系, 空间群为C2, a＝1.9269(5) nm, b＝2.4395(7) nm, c＝1.6095(4) nm, β＝107.816(5)°, V＝7.203(3) nm3, Z＝4, Dc＝1.373 g•cm－3, F(000)＝3176, R[I＞2σ(I)]＝0.0971. 在形成的2∶2包合物中, β-环糊精通过羟基间的氢键形成头对头的二聚体, 两个水杨酸分子以不同的形式与环糊精形成包合物, 其中一个水杨酸分子寄居于环糊精的空腔中, 而另一个水杨酸则位于由两个环糊精形成二聚体的空隙中.

关键词: 包结配合物, 晶体结构, 环糊精, 超分子

An inclusion complex β-cyclodextrin-salicylic acid (β-CD-sal) [(C42H70O35)2•(C7H6O3)2•(H2O)24] was prepared between β-cyclodextrin and salicylic acid, and its structure was investigated by X-ray single crystal diffrac-tion, NMR and elemental analysis. The crystallographic study has shown that the inclusion complex belongs to the monoclinic system (space group: C2) with unit cell dimensions a＝1.9269(5) nm, b＝2.4395(7) nm, c＝1.6095(4) nm, β＝107.816(5)°, V＝7.203(3) nm3, Z＝4, Dc＝1.373 g•cm－3, F(000)＝3176, R[I＞2σ(I)]＝0.0971. The results show that β-cyclodextrin and salicylic acid form 2∶2 inclusion complex in which the β-cyclodextrins exist as a head-to-head dimer by means of extensive hydrogen bonding across the secondary hydroxyl groups and the salicylic acids are included in the dimer in different mode, i. e. one salicylic acid molecule is included in the cavity of the β-cyclodextrin, and the other is sandwiched in the in-terface of the dimer.

Key words: inclusion complex, crystal structure, cyclodextrin, supramolecule