title: Effect of the Zn2+ and Hg2+ ions on the structure of liquid water.
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 Zn(2+) and Hg(2+) 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(2+) ion, the Hg(2+) cation has a strong impact on the hydrogen-bond network of water that extends beyond the first coordination shell.
authors.affiliation: Dipartimento di Chimica, Università di Roma La Sapienza, Roma, Italy. valemig@caspur.it
authors.forename: Valentina
authors.initials: V
authors.lastname: Migliorati
authors.forename: Giordano
authors.initials: G
authors.lastname: Mancini
authors.forename: Giovanni
authors.initials: G
authors.lastname: Chillemi
authors.forename: Andrea
authors.initials: A
authors.lastname: Zitolo
authors.forename: Paola
authors.initials: P
authors.lastname: D'Angelo
mesh_terms: D008628:Mercury / Q000737:chemistry*; D056004:Molecular Dynamics Simulation; D015394:Molecular Structure; D012996:Solutions; D014867:Water / Q000737:chemistry*; D015032:Zinc / Q000737:chemistry*
chemical_list: D012996:Solutions; D014867:Water; D008628:Mercury; D015032:Zinc