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

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

doi:10.1039/D0CC03217D

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

Dinis O. Abranches,

^a Jordana Benfica,

^a Bruna P. Soares,

^a Alejandro Leal-Duaso,

^b Tânia E. Sintra,

^a Elísabet Pires,

^b Simão P. Pinho,

^c Seishi Shimizu

^d and João A. P. Coutinho

*^a

Author affiliations

* Corresponding authors

^a CICECO – Aveiro Institute of Materials, Department of Chemistry, University of Aveiro, 3810-193 Aveiro, Portugal
E-mail: jcoutinho@ua.pt

^b Instituto de Síntesis Química y Catálisis Homogénea (ISQCH-CSIC) Facultad de Ciencias, C. S. I. C. – Universidad de Zaragoza, E-50009 Zaragoza, Spain

^c Centro de Investigação de Montanha (CIMO), Instituto Politécnico de Bragança, Campus de Santa Apolónia, 5300-253 Bragança, Portugal

^d York Structural Biology Laboratory, Department of Chemistry, University of York, Heslington, York YO10 5DD, UK

Abstract

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 ¹H-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.

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Article information

DOI: https://doi.org/10.1039/D0CC03217D
Article type: Communication
Submitted: 05 May 2020
Accepted: 21 May 2020
First published: 21 May 2020

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Chem. Commun., 2020,56, 7143-7146

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

D. O. Abranches, J. Benfica, B. P. Soares, A. Leal-Duaso, T. E. Sintra, E. Pires, S. P. Pinho, S. Shimizu and J. A. P. Coutinho, Chem. Commun., 2020, 56, 7143 DOI: 10.1039/D0CC03217D

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Chemical Communications

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

Abstract

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

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