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Title: Experimental and theoretical investigations on the host-guest interaction of diphenylamine with p-sulfonatocalix[4]arene
Authors: Saravanan, Chokalingam
Chitumalla, Ramesh Kumar
Yuvakumar, Rathinam
Shanmugavelan, Poovan
Mareeswaran, Paulpandian Muthu
Jang, Joonkyung
Keywords: p-Sulfonatocalix[4]arene;Diphenylamine;Spectral titrations;Electrochemical study;Theoretical interpretation;Complexation energy
Issue Date: Jul-2020
Publisher: NISCAIR-CSIR, India
Abstract: 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.
Page(s): 929-938
ISSN: 0975-0975(Online); 0376-4710(Print)
Appears in Collections:IJC-A Vol.59A(07) [July 2020]

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