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N-(4-羟基苯基)-咪唑与对磺酸基杯[4]芳烃结合的光谱、电化学及计算研究

Spectral, Electrochemical and Computational Investigations of Binding of n-(4-Hydroxyphenyl)-imidazole with p-Sulfonatocalix[4]arene.

作者信息

Senthilkumaran Marimuthu, Maruthanayagam Kalimuthu, Vigneshkumar Ganesan, Chitumalla Ramesh Kumar, Jang Joonkyung, Muthu Mareeswaran Paulpandian

机构信息

Department of Industrial Chemistry, Alagappa University, Karaikudi, 630 003, India.

Department of Nanoenergy Engineering, Pusan National University, Busan, 609-735, South Korea.

出版信息

J Fluoresc. 2017 Nov;27(6):2159-2168. doi: 10.1007/s10895-017-2155-6. Epub 2017 Sep 8.

DOI:10.1007/s10895-017-2155-6
PMID:28887595
Abstract

The interaction of n-(4-hydroxyphenyl)-imidazole with p-sulfonatocalix[4]arene is studied using fluorescence technique. The quenching of fluorescence intensity explains the efficiency of binding via binding constant and quenching constant. The excited state lifetime of n-(4-hydroxyphenyl)-imidazole is decreased upon interaction with p-sulfonatocalix[4]arene. The cyclic voltametric studies emphasized the interaction of n-(4-hydroxyphenyl)-imidazole with p-sulfonatocalix[4]arene. Quantum chemical calculations are carried out to study the interactions as well as charge transfer between the host and the guest upon complexation. The simulations revealed that the n-(4-hydroxyphenyl)-imidazole interacts with p-sulfonatocalix[4]arene with horizontal orientation with in the p-sulfonatocalix[4]arene cavity.

摘要

采用荧光技术研究了N-(4-羟基苯基)咪唑与对磺酸基杯[4]芳烃的相互作用。荧光强度的猝灭通过结合常数和猝灭常数解释了结合效率。N-(4-羟基苯基)咪唑与对磺酸基杯[4]芳烃相互作用后,其激发态寿命缩短。循环伏安研究强调了N-(4-羟基苯基)咪唑与对磺酸基杯[4]芳烃的相互作用。进行了量子化学计算以研究络合时主体与客体之间的相互作用以及电荷转移。模拟结果表明,N-(4-羟基苯基)咪唑在对磺酸基杯[4]芳烃腔内以水平取向与对磺酸基杯[4]芳烃相互作用。

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