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Issue 12, 2017
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Complexation behaviour of caffeic, ferulic and p-coumaric acids towards aluminium cations: a combined experimental and theoretical approach

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Abstract

Here we have studied the complexation of caffeic, ferulic and p-coumaric acids with Al(III) under physiological conditions (i.e. at 37 °C and in 0.16 M NaCl). Solubility and protonation constants of these hydroxycinnamic acids were firstly determined in order to evaluate the competition of the ligands for the Al(III) and H+ ions. Speciation analysis made by potentiometric titrations and supported by UV and 1H-NMR data shows that a pH-dependent complexation occurs at 1 : 1 and 2 : 1 ligand-to-Al(III) ratios. Notably, these data combined with computational (DFT) results unequivocally indicate that the complexation site is the carboxylate group of the ligands thus excluding any involvement of the phenolic sites.

Graphical abstract: Complexation behaviour of caffeic, ferulic and p-coumaric acids towards aluminium cations: a combined experimental and theoretical approach

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Publication details

The article was received on 24 Feb 2017, accepted on 11 May 2017 and first published on 12 May 2017


Article type: Paper
DOI: 10.1039/C7NJ00661F
Citation: New J. Chem., 2017,41, 5182-5190
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    Complexation behaviour of caffeic, ferulic and p-coumaric acids towards aluminium cations: a combined experimental and theoretical approach

    A. Beneduci, E. Furia, N. Russo and T. Marino, New J. Chem., 2017, 41, 5182
    DOI: 10.1039/C7NJ00661F

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