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Issue 3, 2017
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The impact of solvent relative permittivity on the dimerisation of organic molecules well below their solubility limits: examples from brewed coffee and beyond

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Abstract

The formation of aqueous intermolecular dimers is governed by both the nature and strength of the intermolecular interactions and the entropy of dissolution. The former interaction energies are determined by the polarity of the solvent and the functionality of the solute. Using quantum chemical methods, we probe the energetics of dimer formation of representative compounds found in coffee well below their solubility limits. We find that with the exclusion of entropy, the dimer formation is thermodynamically unfavorable with negligible dependence on the dielectric medium.

Graphical abstract: The impact of solvent relative permittivity on the dimerisation of organic molecules well below their solubility limits: examples from brewed coffee and beyond

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Publication details

The article was received on 14 Dec 2016, accepted on 21 Jan 2017 and first published on 23 Jan 2017


Article type: Paper
DOI: 10.1039/C6FO01796G
Citation: Food Funct., 2017,8, 1037-1042
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    The impact of solvent relative permittivity on the dimerisation of organic molecules well below their solubility limits: examples from brewed coffee and beyond

    E. S. Bradley and C. H. Hendon, Food Funct., 2017, 8, 1037
    DOI: 10.1039/C6FO01796G

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