Dataset curated
- DOI:
- https://doi.org/10.34804/supra.20210928286
- Title:
- Investigation of the upper rim binding of triphenylpyrylium cation with p-sulfonatocalix[4]arene
- Description:
- 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.
| Citation: |
M. Senthilkumaran, R. K. Chitumalla, G. Vigneshkumar, E. Rajkumar, P. Muthu Mareeswaran, J. Jang, SupraBank 2024, Investigation of the upper rim binding of triphenylpyrylium cation with p-sulfonatocalix[4]arene (dataset). https://doi.org/10.34804/supra.20210928286 |
| Link: | https://doi.org/10.34804/supra.20210928286 |
| Export: | BibTex | RIS | EndNote |
| Views | Downloads | Citations |
|---|---|---|
| 1544 | 0 | 0 |
| Citation: |
M. Senthilkumaran, R. K. Chitumalla, G. Vigneshkumar, E. Rajkumar, P. Muthu Mareeswaran, J. Jang, J Incl Phenom Macrocycl Chem 2018, 91, 161–169. |
| Link: | https://doi.org/10.1007/s10847-018-0809-x |
| Export: | BibTex | RIS | EndNote | |
- Creators:
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Marimuthu Senthilkumaran
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Ramesh Kumar Chitumalla
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Ganesan Vigneshkumar
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Eswaran Rajkumar
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Paulpandian Muthu Mareeswaran
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Joonkyung Jang
- Contributers:
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Mary Maguire
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DataManager
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