中文摘要：

采用荧光光谱法和核磁共振技术研究了对磺化杯[4]芳烃（SCAA）与盐酸可卡因（CH）间的超分子作用。研究了pH值、温度、离子强度和SC4A浓度对主客体超分子作用的影响。在pH7．5的Britton—Robinson缓冲溶液中，CH的荧光强度随着SCAA的加入而呈下降趋势，荧光的猝灭反映了CH—SC4A包合物的形成。通过光谱滴定法验证了主客体化合物的化学计量之比为1：1。根据线性方程计算出CH—SCAA包合物的结合常数为6．93×10^4L／mol。^1H NMR研究证明CH中含N—CH3的桥环部分局部进入SC4A的疏水空腔。密度泛函理论计算验证了这一作用机理。

英文摘要：

The inclusion interaction between＇ cocaine hydrochloride （CH） and p-sulfonated calix [ 4 ] arene（SC4A） was investigated by fluorescence and ^1H NMR spectroscopy. Influences of pH value, temperature, ionic strength and SC4A concentration were examined in detail. In pH 7.5 Britton - Robinson solution, the fluorescence of CH was dramatically reduced to quench upon the addition of SC4A, revealing the formation of inclusion complexes between CH and SC4A. The stoichiometric ra- tio was verified to be 1 ： 1 by the continuous variation method. The binding constant of CH - SC4A complexes was calculated to be 6.93 ~ 104 L/mol by the nonlinear curve fitting method. ^1H NMR spectra showed that the bridge ring moiety containing N--CH3 of CH may partially penetrate into the hydrophobic cavity of SC4A. This was confirmed by density functional theory calculations.