波谱学杂志

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β-环糊精与几种菁染料包合物的动态结构及包合平衡的NMR研究

唐亚林1,  冯娟1,  向俊峰2,  陈次平2,  阎文鹏2,  徐广智1   

  1. 1.中国科学院化学研究所 分子科学中心,北京 100080;
    2.中国科学院理化技术研究所  感光部分,北京 100101
  • 收稿日期:2001-03-09 修回日期:2001-03-29 出版日期:2001-06-05 发布日期:2001-06-05
  • 作者简介:唐亚林(1963-),男,博士,研究员.E-mail:tangyl@infoc3.icas.ac.cn

STUDY OF THE DYNAMIC STRUCTURES AND EQUILIBRIA OF β-CYCLODEXTRIN WITH CYANINE DYES

TANG  Ya-Lin1, FENG Juan1, XIANG Jun-Feng2, CHEN Ci-Ping2, YAN Wen-peng2, XU Guang-Zhi1   

  1. 1.Institute of Chemistry, the Chinese Academy of Sciences, Molecular Science Center, Beijng 100080;
    2.Photographic Department, Institute of Physical and Chemical Technology, The Chinese Academy of Sciences, Beijing 100101
  • Received:2001-03-09 Revised:2001-03-29 Online:2001-06-05 Published:2001-06-05

摘要:

用核磁共振方法研究了β-CD与三种菁染料3,3′-二(3-磺丙基)噻菁三乙胺盐(d-yeA)、3,3′-二(3-磺丙基)-5-氯-噻菁三乙胺盐(dyeB)和3,3′-二(3-磺丙基)
-5,5′-二苯基-9-乙基恶碳菁(dyeC)在溶液中的包合现象和包合物的动态结构,实验发现β-CD环糊精疏水腔中的H-3和H-5以及三种菁染料的芳环上质子的化学位移由于形成包合物而发生明显变化, 而且峰的位置随包合程度的不同而不同. 实验中发现包合物的荧光强度随β-CD浓度增加而减弱,相应计算表明β-CD与三种菁染料形成了1∶1的包合物.本文研究了三种包合物中主体部分OH-3和OH-6的化学位移随温度变化的情况,获得了包合物中氢键强弱的信息, 通过NMR化学位移滴定法计算得到了三种包合物在水溶液中的稳定常数, 在上述工作的基础上,本文提出了三种包合物的结构模型,描述了客体进入主体腔中的动态过程.

关键词: β-环糊精, 包合物, 菁染料, 结构模型

Abstract:

The results of 1H NMR investigation of  β-Cyclodextrin inclusion complexes with three  cyanine dyes in D2O and DMSO solution are reported in this paper, It was found that there is difference in chemical shift of some protons both of β-Cyclodextrin cavity and of cyanine dyes between after and before complexing,the position of which is dependent upon the inclusive degree. Fluorescence spectroscopy of cyanine dyes showed that the fluorescence intensity of these dyes is obviously quenched due to the forming of inclusions with β-Cyclodextrin, calculation results based on fluorescence spectroscopy indicated that β-Cyclodextrin formed 1∶1 inclusion with three cyanine dyes respectively. Information about hydrogen bond was induced from the study of temperature dependence of chemical shift of hydroxyl protons in β-Cyclodextrin cavity, OH-3 and OH-6. Their equilibrium constants of inclusion complexes were obtained from NMR chemical shift titration. The structure model of three inclusion complexes and dynamic process entering β-Cyclodextrin cavity has been described in this paper.

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