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Vol. 35 No. 9 (2023): Vol 35 Issue 9, 2023

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Electronic Spectroscopy and Molecular Modelling Study of Supramolecular Receptors based on Azo Compound of o-Toluidine Capable of Sensing Mercuric Ion

https://doi.org/10.14233/ajchem.2023.28243
RIDIP DAS
Department of Chemistry, Bhattadev University, Bajali-781325, India
https://orcid.org/0009-0004-5951-9568
RAJIB LOCHAN SARMA
Department of Chemistry, Bhattadev University, Bajali-781325, India
https://orcid.org/0009-0007-5515-2561
DIPJYOTI KALITA
Department of Chemistry, Bhattadev University, Bajali-781325, India
https://orcid.org/0009-0000-6585-8954

Corresponding Author(s) : DIPJYOTI KALITA

che.dipjyoti@bhattadevuniversity.ac.in

Asian Journal of Chemistry, Vol. 35 No. 9 (2023): Vol 35 Issue 9, 2023

Abstract

Two supramolecular receptors capable of binding anion as well as metal ion were synthesized by linking o-toluidine with 2,6-diaminopyridine and 4-aminopyridine via diazocoupling reaction. The interaction of the receptors with different acids and metal ions  were studied in solution state by using UV-visible titration. One of the receptors is capable of sensing Hg2+ ion in solution state by  showing considerable amount of bathochromic shift in its absorption maxima. Their binding affinities were also compared by  calculating binding constants from the UV-visible titration data. A theoretical study was carried simultaneously to investigate the  plausible interaction of host-guest complexes. The different binding affinities were calculated from the free energy change data and  compared with the experimental values. The possible structure of metal complexes of Hg2+, Cu2+ and Fe2+ ions were optimized and  their properties were also studied. The limit of detection (LoD) of Hg2+ ions was found to be 0.223 ppm. 

Keywords

Isosbestic point Bathochromic shift Binding constant Mulliken charge density
DAS, R., SARMA, R. L., & KALITA, D. (2023). Electronic Spectroscopy and Molecular Modelling Study of Supramolecular Receptors based on Azo Compound of o-Toluidine Capable of Sensing Mercuric Ion. Asian Journal of Chemistry, 35(9), 2265–2274. https://doi.org/10.14233/ajchem.2023.28243
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