β-环糊精与4,4′-二羟基二苯乙烷形成包结物的表征

Characterization of inclusion complex between β-cyclodextrin and bis(4-hydroxyphenyl)ethane

基于紫外光谱、红外光谱、荧光光谱和计算机模拟技术研究了伊环糊精对4，4＇-二羟基二苯乙烷的包结行为．结果表明，4，4＇-二羟基二苯乙烷经包结后其紫外吸收有所增加，吸收峰红移了2～3nm；红外特征峰被β-环糊精不同程度掩盖且特征吸收峰不同程度地发生一定的偏移；荧光强度随β-环糊精浓度的增大而逐渐增强；仔环糊精与4，4’-二羟基二苯乙烷形成稳定的1：1包结物，包结常数为7．82×10^3L·mol^-1；PM3优化后包结物的构型为4，4＇-二羟基二苯乙烷分子部分进入伊环糊精空腔，模拟包结物的稳定化能为-59．13kJ·mol^-1．

Inclusion behavior of bis（4-hydroxyphenyl）ethane by β-cyclodextrin is studied with ultraviolet spectrum, infrared spectrum, fluorescence spectra and computer technique. The results from ultraviolet spectrum show that the absorbance of bis（4-hydroxyphenyl）ethane after inclusion increases with increasing of the concentration of β-cyclodextrin and results in 2 - 3 nm red shift of maximum absorbance wavelength, and the results from infrared spectrum show that some characteristic peaks of bis（4-hydroxyphenyl）ethane after inclusion are covered and results in shift of absorbance peaks, and the results from fluorescence spectrum show that the fluorescence intensity of bis（4-hydroxyphenyl）ethane after inclusion increases with increasing of the concentration of β-cyclodextrin, β-cyclodextrin reacts with bis（4-hydroxyphenyl）ethane forming a 1： 1 inclusion complex, the formation constant is 7.82 × 10^3 L·mol^-1. The results from PM3 optimized structure show that bis（4-hydroxyphenyl）ethane can enter partly into the cavity of β-CD, partly out of the cavity of β-CD and stabilization energy of inclusion complex is -59.13 kJ·mol^-1.