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Experimental and theoretical study: Determination of dipole moment of synthesized coumarin–triazole derivatives and application as turn off fluorescence sensor: High sensitivity for iron(III) ions

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dc.contributor.author Sakhuja, Rajeev
dc.contributor.author Pant, Debi D.
dc.date.accessioned 2021-11-11T11:00:38Z
dc.date.available 2021-11-11T11:00:38Z
dc.date.issued 2015-12
dc.identifier.uri https://www.sciencedirect.com/science/article/pii/S092540051530109X
dc.identifier.uri http://dspace.bits-pilani.ac.in:8080/xmlui/handle/123456789/3372
dc.description.abstract Electronic absorption and fluorescence spectra of two synthesized coumarin–triazole based probes (S)-(1-((7-hydroxy-2-oxo-2H-chromen-4-yl) methyl)-1H-1,2,3-triazol-4-yl)methyl 2-(tert-butoxycabonylamino)-3-phenylpropanoate and (S)-(1-((7-hydroxy-2-oxo-2H-chromen-4-yl)methyl)-1H-1,2,3-triazol-4-yl) methyl 2-(benzyloxycabonylamino)-3-phenylpropanoate have been recorded at room temperature in wide range of solvents of different polarities. Synthesized compounds were characterized by 1H and 13C NMR, and FT-IR spectral studies. The ground and excited state dipole moments of molecules were obtained from Bakshiev's and Bilot–Kawski's equations by means of solvatochromic shift method. A DFT based studies in different solvents are also performed using IEF-PCM method and UA0 radii. A comparative analysis between the values of dipole moment in gas phase and various solvents is also performed for the ground state. The potential sensor behaviors of these compounds to metal ions have also been examined by fluorescence spectroscopy and these compounds exhibited as fluorescence sensor for the determination of Fe3+ ions in solution. Effect of various metal ions on fluorescent behavior was also studied. Both the synthesized compounds act as selective and sensitive sensor for micromolar detection of Fe3+ ions. Binding stoichiometry of Fe3+ ion detection was also investigated. Conventional binding energy calculations are performed to determine the relative stability of Fe(III) complexes. en_US
dc.language.iso en en_US
dc.publisher Elsiever en_US
dc.subject Chemistry en_US
dc.subject Solvatochromic shift en_US
dc.subject Dipole moment en_US
dc.subject Absorption en_US
dc.title Experimental and theoretical study: Determination of dipole moment of synthesized coumarin–triazole derivatives and application as turn off fluorescence sensor: High sensitivity for iron(III) ions en_US
dc.type Article en_US


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