Selective Detection of Zn2+ Ions by Ratiometric Receptor (E)-N′-(1-(2, 5-Dihydroxy phenyl) Ethylidene) Isonicotinohydrazide: A DFT Study
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 a...
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| Format: | Article |
| Language: | English |
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Technoscience Publications
2022-12-01
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| Series: | Nature Environment and Pollution Technology |
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| Online Access: | https://neptjournal.com/upload-images/(17)B-3929.pdf |
| _version_ | 1797955863879614464 |
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| author | N. S. Patil, R. B. Dhake, R. Phalak, U. A. Fegade, C. Ramalingan and V. Saravanan |
| author_facet | N. S. Patil, R. B. Dhake, R. Phalak, U. A. Fegade, C. Ramalingan and V. Saravanan |
| author_sort | N. S. Patil, R. B. Dhake, R. Phalak, U. A. Fegade, C. Ramalingan and V. Saravanan |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-04-10T23:40:53Z |
| format | Article |
| id | doaj.art-dc4be402ffd44f939193c7f8d608d6f8 |
| institution | Directory Open Access Journal |
| issn | 0972-6268 2395-3454 |
| language | English |
| last_indexed | 2024-04-10T23:40:53Z |
| publishDate | 2022-12-01 |
| publisher | Technoscience Publications |
| record_format | Article |
| series | Nature Environment and Pollution Technology |
| spelling | doaj.art-dc4be402ffd44f939193c7f8d608d6f82023-01-11T09:51:02ZengTechnoscience PublicationsNature Environment and Pollution Technology0972-62682395-34542022-12-012152231224010.46488/NEPT.2022.v21i05.017Selective Detection of Zn2+ Ions by Ratiometric Receptor (E)-N′-(1-(2, 5-Dihydroxy phenyl) Ethylidene) Isonicotinohydrazide: A DFT StudyN. S. Patil, R. B. Dhake, R. Phalak, U. A. Fegade, C. Ramalingan and V. SaravananThe 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.https://neptjournal.com/upload-images/(17)B-3929.pdfdetection of zinc, ratiometric receptor, isonicotinohydrazide, dft study |
| spellingShingle | N. S. Patil, R. B. Dhake, R. Phalak, U. A. Fegade, C. Ramalingan and V. Saravanan Selective Detection of Zn2+ Ions by Ratiometric Receptor (E)-N′-(1-(2, 5-Dihydroxy phenyl) Ethylidene) Isonicotinohydrazide: A DFT Study Nature Environment and Pollution Technology detection of zinc, ratiometric receptor, isonicotinohydrazide, dft study |
| title | Selective Detection of Zn2+ Ions by Ratiometric Receptor (E)-N′-(1-(2, 5-Dihydroxy phenyl) Ethylidene) Isonicotinohydrazide: A DFT Study |
| title_full | Selective Detection of Zn2+ Ions by Ratiometric Receptor (E)-N′-(1-(2, 5-Dihydroxy phenyl) Ethylidene) Isonicotinohydrazide: A DFT Study |
| title_fullStr | Selective Detection of Zn2+ Ions by Ratiometric Receptor (E)-N′-(1-(2, 5-Dihydroxy phenyl) Ethylidene) Isonicotinohydrazide: A DFT Study |
| title_full_unstemmed | Selective Detection of Zn2+ Ions by Ratiometric Receptor (E)-N′-(1-(2, 5-Dihydroxy phenyl) Ethylidene) Isonicotinohydrazide: A DFT Study |
| title_short | Selective Detection of Zn2+ Ions by Ratiometric Receptor (E)-N′-(1-(2, 5-Dihydroxy phenyl) Ethylidene) Isonicotinohydrazide: A DFT Study |
| title_sort | selective detection of zn2 ions by ratiometric receptor e n 1 2 5 dihydroxy phenyl ethylidene isonicotinohydrazide a dft study |
| topic | detection of zinc, ratiometric receptor, isonicotinohydrazide, dft study |
| url | https://neptjournal.com/upload-images/(17)B-3929.pdf |
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