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.