【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(SC4A)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SC4A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-SC4A包合物的结合常数为6.93×104L/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。更多还原

【Abstract】 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 ratio was verified to be 1 ∶ 1 by the continuous variation method.The binding constant of CH- SC4A complexes was calculated to be 6.93 × 104L /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.更多还原