10.1021/jp201060y.s001 Valentina Migliorati Valentina Migliorati Giordano Mancini Giordano Mancini Giovanni Chillemi Giovanni Chillemi Andrea Zitolo Andrea Zitolo Paola D’Angelo Paola D’Angelo Effect of the Zn<sup>2+</sup> and Hg<sup>2+</sup> Ions on the Structure of Liquid Water American Chemical Society 2011 Liquid WaterThe effect XANES Hg water molecules coordination shell Zn dynamics investigation 2011-05-12 00:00:00 Journal contribution https://acs.figshare.com/articles/journal_contribution/Effect_of_the_Zn_sup_2_sup_and_Hg_sup_2_sup_Ions_on_the_Structure_of_Liquid_Water/2653648 The effect of ions on the structure of liquid water is still not completely understood, despite extensive experimental and theoretical studies. A combined XANES and molecular dynamics investigation on diluted Zn<sup>2+</sup> and Hg<sup>2+</sup> aqueous solutions reveals that the influence of a single ion on the bonding pattern of water molecules is strongly dependent on the nature of the ion. While the structure of water is not altered by the presence of the Zn<sup>2+</sup> ion, the Hg<sup>2+</sup> cation has a strong impact on the hydrogen-bond network of water that extends beyond the first coordination shell.