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 Zn2+ and Hg2+ 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 Zn2+ ion, the Hg2+ cation has a strong impact on the hydrogen-bond network of water that extends beyond the first coordination shell.
Effect of the Zn2+ and Hg2+ Ions on the Structure of Liquid Water / Migliorati, Valentina; Mancini, Giordano; Giovanni, Chillemi; Zitolo, Andrea; D'Angelo, Paola. - In: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY. - ISSN 1089-5639. - STAMPA. - 115:18(2011), pp. 4798-4803. [10.1021/jp201060y]
Effect of the Zn2+ and Hg2+ Ions on the Structure of Liquid Water
MIGLIORATI, VALENTINA;ZITOLO, ANDREA;D'ANGELO, Paola
2011
Abstract
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 Zn2+ and Hg2+ 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 Zn2+ ion, the Hg2+ cation has a strong impact on the hydrogen-bond network of water that extends beyond the first coordination shell.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
