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Fluorescence of KCl Aqueous Solution: A Possible Spectroscopic Signature of Nucleation

[Image: see text] Ion pairing in water solutions alters both the water hydrogen-bond network and ion solvation, modifying the dynamics and properties of electrolyte water solutions. Here, we report an anomalous intrinsic fluorescence of KCl aqueous solution at room temperature and show that its inte...

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Autores principales: Villa, Anna Maria, Doglia, Silvia Maria, De Gioia, Luca, Natalello, Antonino, Bertini, Luca
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8996234/
https://www.ncbi.nlm.nih.gov/pubmed/35344657
http://dx.doi.org/10.1021/acs.jpcb.2c01496
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author Villa, Anna Maria
Doglia, Silvia Maria
De Gioia, Luca
Natalello, Antonino
Bertini, Luca
author_facet Villa, Anna Maria
Doglia, Silvia Maria
De Gioia, Luca
Natalello, Antonino
Bertini, Luca
author_sort Villa, Anna Maria
collection PubMed
description [Image: see text] Ion pairing in water solutions alters both the water hydrogen-bond network and ion solvation, modifying the dynamics and properties of electrolyte water solutions. Here, we report an anomalous intrinsic fluorescence of KCl aqueous solution at room temperature and show that its intensity increases with the salt concentration. From the ab initio density functional theory (DFT) and time-dependent DFT modeling, we propose that the fluorescence emission could originate from the stiffening of the hydrogen bond network in the hydration shell of solvated ion-pairs that suppresses the fast nonradiative decay and allows the slower radiative channel to become a possible decay pathway. Because computations suggest that the fluorophores are the local ion-water structures present in the prenucleation phase, this band could be the signature of the incoming salt precipitation.
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spelling pubmed-89962342022-04-12 Fluorescence of KCl Aqueous Solution: A Possible Spectroscopic Signature of Nucleation Villa, Anna Maria Doglia, Silvia Maria De Gioia, Luca Natalello, Antonino Bertini, Luca J Phys Chem B [Image: see text] Ion pairing in water solutions alters both the water hydrogen-bond network and ion solvation, modifying the dynamics and properties of electrolyte water solutions. Here, we report an anomalous intrinsic fluorescence of KCl aqueous solution at room temperature and show that its intensity increases with the salt concentration. From the ab initio density functional theory (DFT) and time-dependent DFT modeling, we propose that the fluorescence emission could originate from the stiffening of the hydrogen bond network in the hydration shell of solvated ion-pairs that suppresses the fast nonradiative decay and allows the slower radiative channel to become a possible decay pathway. Because computations suggest that the fluorophores are the local ion-water structures present in the prenucleation phase, this band could be the signature of the incoming salt precipitation. American Chemical Society 2022-03-28 2022-04-07 /pmc/articles/PMC8996234/ /pubmed/35344657 http://dx.doi.org/10.1021/acs.jpcb.2c01496 Text en © 2022 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Villa, Anna Maria
Doglia, Silvia Maria
De Gioia, Luca
Natalello, Antonino
Bertini, Luca
Fluorescence of KCl Aqueous Solution: A Possible Spectroscopic Signature of Nucleation
title Fluorescence of KCl Aqueous Solution: A Possible Spectroscopic Signature of Nucleation
title_full Fluorescence of KCl Aqueous Solution: A Possible Spectroscopic Signature of Nucleation
title_fullStr Fluorescence of KCl Aqueous Solution: A Possible Spectroscopic Signature of Nucleation
title_full_unstemmed Fluorescence of KCl Aqueous Solution: A Possible Spectroscopic Signature of Nucleation
title_short Fluorescence of KCl Aqueous Solution: A Possible Spectroscopic Signature of Nucleation
title_sort fluorescence of kcl aqueous solution: a possible spectroscopic signature of nucleation
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8996234/
https://www.ncbi.nlm.nih.gov/pubmed/35344657
http://dx.doi.org/10.1021/acs.jpcb.2c01496
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