The intermolecular interaction between diphenylamine (DPA) and p-sulfonatocalix[4]arene (p-SC4) is studied by experimental and computational techniques. The 1:1 stoichiometry of the inclusion complex is deduced from fluorescence titration using Job’s method. The tendency of binding of DPA with p-SC4 is analyzed from emission, excited state lifetime and cyclic voltammetry techniques. The binding constant values acquired from all the titrations are around 10³–10⁴ L/mol, reveals the effective binding. The structural interactions and mode of binding of the supramolecular complex are explained by ¹H NMR and ROESY spectral studies. The molecular association of DPA with p-SC4 is confirmed by quantum chemical simulations. The higher complexation energy (-76.94 kJ/mol) declares the existence of strong binding between DPA and p-SC4.

中文翻译：

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二苯胺与对磺酸钠杯[4]芳烃的客体相互作用的实验和理论研究

通过实验和计算技术研究了二苯胺（DPA）和对磺基杯[4]芳烃（p-SC4）之间的分子间相互作用。使用Job方法从荧光滴定推论出包合物的1：1化学计量。从发射，激发态寿命和循环伏安技术分析了DPA与p-SC4的结合趋势。从所有滴定中获得的结合常数约为10 ³ –10 ⁴ L / mol，表明有效结合。超分子复合物的结构相互作用和结合方式由¹解释1 H NMR和ROESY光谱研究。DPA与p-SC4的分子缔合通过量子化学模拟得到证实。较高的络合能（-76.94 kJ / mol）表明DPA与p-SC4之间存在强结合。