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Unveiling the mechanism of hydrotropy: evidence for water-mediated aggregation of hydrotropes around the solute

Abranches, Dinis O ; Benfica, Jordana ; Soares, Bruna P ; Leal-Duaso, Alejandro ; Sintra, Tânia E ; Pires, Elísabet ; Pinho, Simão P ; Shimizu, Seishi ; Coutinho, João A. P

Chemical communications (Cambridge, England), 2020-07, Vol.56 (52), p.7143-7146 [Periódico revisado por pares]

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Título:
Unveiling the mechanism of hydrotropy: evidence for water-mediated aggregation of hydrotropes around the solute
Autor: Abranches, Dinis O ; Benfica, Jordana ; Soares, Bruna P ; Leal-Duaso, Alejandro ; Sintra, Tânia E ; Pires, Elísabet ; Pinho, Simão P ; Shimizu, Seishi ; Coutinho, João A. P
Assuntos: Agglomeration ; Hydrotropes ; NMR ; Nuclear magnetic resonance
É parte de: Chemical communications (Cambridge, England), 2020-07, Vol.56 (52), p.7143-7146
Notas: 10.1039/d0cc03217d
Electronic supplementary information (ESI) available: Experimental and computational details and supporting figures, including NMR and apolar factor results. See DOI
Dedicated to the memory of Prof. José Ignacio García Laureiro.
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Descrição: A recent proposal attributes the origin of hydrotropy to the water-mediated aggregation of hydrotrope molecules around the solute. Experimental evidence for this phenomenon is reported for the first time in this work, using 1 H-NMR. A new computational technique to quantify apolarity is introduced and is used to show that apolarity of both solute and hydrotrope is the driving force of hydrotropy. The mechanism of hydrotropy is experimentally proven in this work. Apolarity is shown to be the driving force of hydrotropy.
Editor: England: Royal Society of Chemistry
Idioma: Inglês

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