Investigation of the upper rim binding of triphenylpyrylium cation with p-sulfonatocalix[4]arene

被引:3
|
作者
Senthilkumaran, Marimuthu [1 ]
Chitumalla, Ramesh Kumar [2 ]
Vigneshkumar, Ganesan [1 ]
Rajkumar, Eswaran [3 ]
Mareeswaran, Paulpandian Muthu [1 ]
Jang, Joonkyung [2 ]
机构
[1] Alagappa Univ, Dept Ind Chem, Karaikkudi 630003, Tamil Nadu, India
[2] Pusan Natl Univ, Dept Nanoenergy Engn, Busan 609735, South Korea
[3] Madras Christian Coll Autonomous, Dept Chem, Madras 600059, Tamil Nadu, India
基金
新加坡国家研究基金会;
关键词
Emission; Cyclic voltammetry; P-sulfonatocalix[4]arene; NMR analysis; DFT study; COMPUTATIONAL INVESTIGATIONS; PYRYLIUM-SALTS; CALIXARENES; 2,4,6-TRIPHENYLPYRYLIUM; COMPLEXATION; RECOGNITION; TEMPERATURE; MOLECULES; ZEOLITE; NMR;
D O I
10.1007/s10847-018-0809-x
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
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.
引用
收藏
页码:161 / 169
页数:9
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