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Spectral, electrochemical and computational investigations on the host–guest interaction of Coumarin-460 with p-sulfonatocalix[4]arene

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Abstract

The supramolecular host–guest investigation of Coumarin 460 (C460), a salient coumarin family dye molecule is studied with a noteworthy host molecule, p-sulfonatocalix[4]arene (p-SC4). The investigation is carried out by both experimental and theoretical approach. The binding affinity of C460 with p-SC4 is experimentally studied using absorption, emission, excited state lifetime and Cyclic Voltammetry methods. The binding constant is around 103 M− 1, which shows potent binding. The binding stoichiometry is 1:1. The binding orientations and binding energies are studied using computational simulations. The mode of binding is also established using NMR spectral techniques.

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Acknowledgements

We acknowledge the financial support of Department of science and Technology (DST INSPIRE) [Project Number—IFA14/CH-147], India. B. M. Ashwin thanks to Alagappa University for providing AURF Fellowship for his research work. This work was supported by the Korea Research Fellowship Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Science and ICT (2016H1D3A1936765).

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Authors and Affiliations

  1. Department of Industrial Chemistry, Alagappa University, Karaikudi, Tamilnadu, India

    Bosco Christin Maria Arputham Ashwin, Arulanandu Herculin Arun Baby & Paulpandian Muthu Mareeswaran

  2. Department of Nanoenergy Engineering, Pusan National University, Busan, 46241, Republic of Korea

    Ramesh Kumar Chitumalla & Joonkyung Jang

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  1. Bosco Christin Maria Arputham Ashwin
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Correspondence to Joonkyung Jang or Paulpandian Muthu Mareeswaran.

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Ashwin, B.C.M.A., Chitumalla, R.K., Herculin Arun Baby, A. et al. Spectral, electrochemical and computational investigations on the host–guest interaction of Coumarin-460 with p-sulfonatocalix[4]arene. J Incl Phenom Macrocycl Chem 90, 51–60 (2018). https://doi.org/10.1007/s10847-017-0762-0

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