Investigation of the upper rim binding of triphenylpyrylium cation with p-sulfonatocalix[4]arene |
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Authors: | Marimuthu Senthilkumaran Ramesh Kumar Chitumalla Ganesan Vigneshkumar Eswaran Rajkumar Paulpandian Muthu Mareeswaran Joonkyung Jang |
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Affiliation: | 1.Department of Industrial Chemistry,Alagappa University,Karaikudi,India;2.Department of Nanoenergy Engineering,Pusan National University,Busan,Republic of Korea;3.Department of Chemistry,Madras Christian College (Autonomous),Chennai,India |
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Abstract: | The interaction of 2,4,6-triphenylpyrylium cation with p-sulfonatocalix[4]arene is studied using absorption, emission, NMR and electrochemical techniques. The increase in the absorption is observed with the increase in the concentration of p-sulfonatocalix[4]arene. The emission intensity of 2,4,6-triphenylpyrylium cation is also enhanced in the presence of p-sulfonatocalix[4]arene. The electrochemical titration reveals the presence of host–guest interaction. The NMR analysis explains the upper rim interaction of 2,4,6-triphenypyrylium cation with p-sulfonatocalix[4]arene. The mode of binding is studied using computational methods. The quantum chemical simulations reveal the binding orientation of cationic TPP with p-SC4. The calculated complexation energy (??33.19 kcal mol?1) indicates the strong binding nature of 2,4,6-triphenylpyrylium cation with p-sulfonatocalix[4]arene. |
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