Selective Detection of Zn2+ Ions by Ratiometric Receptor (E)-N′-(1-(2, 5-Dihydroxy phenyl) Ethylidene) Isonicotinohydrazide: A DFT Study
| Autor: | N. S. Patil, R. B. Dhake, R. Phalak, U. A. Fegade, C. Ramalingan and V. Saravanan |
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| Jazyk: | angličtina |
| Rok vydání: | 2022 |
| Předmět: | |
| Zdroj: | Nature Environment and Pollution Technology, Vol 21, Iss 5, Pp 2231-2240 (2022) |
| Druh dokumentu: | article |
| ISSN: | 0972-6268 2395-3454 |
| DOI: | 10.46488/NEPT.2022.v21i05.017 |
| Popis: | The metal ion sensing characteristics of a novel Schiff-based ratiometric UV-visible chemosensor (E)-N’-(1-(2,5-dihydroxy phenyl)ethylidene) isonicotinohydrazide) (R1) has been explored. In EtOH:H2O (7:3, v/v), it has high sensitivity and selectivity for Zn2+ among a series of metal ions. With the addition of Zn2+ ions solution, R1 displayed discriminating spectral activity. The other metal ions did not affect R1 in any way. Furthermore, the addition of Zn2+ ions to R1 and LMCT action caused the shifting of the peak to a longer wavelength of 406 nm. The interaction of Zn2+ ions with R1 was further investigated using Density Functional Theory (DFT) investigations. Zn2+-R1 combination has a lower energy (2.2667 kcal.mol-1 to 0.9339 kcal.mol-1) than R1, indicating a strong connection with excellent stability. The Zn2+-R1 complex’s association constant (Ka) was discovered to be 6795M-1 and 6836M-1 using Benesi-Hildebrand and Scatchard plots respectively. The detection limit was determined to be 276 nM. |
| Databáze: | Directory of Open Access Journals |
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