Solvation shell of H+ ions in water

被引：32

作者：

Botti, A

Bruni, F

Imberti, S

Ricci, MA

Soper, AK

机构：

[1] Univ Roma Tre, Dipartimento Fis E Amaldi, I-00146 Rome, Italy

[2] INFM, Unita Roma Tre, I-00146 Rome, Italy

[3] Rutherford Appleton Lab, ISIS Facil, Didcot OX11 0QX, Oxon, England

[4] UCL, Dept Phys & Astron, London WC1E 6BT, England

来源：

JOURNAL OF MOLECULAR LIQUIDS | 2005年 / 117卷 / 1-3期

关键词：

water; neutron difftaction; ions solvation;

D O I：

10.1016/j.molliq.2004.08.002

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The solvation shell of the hydronium ion in water is explored experimentally for the first time by using a combination of neutron diffraction with hydrogen isotope substitution and Monte Carlo simulation within the empirical potential structure refinement framework. Each H(+) ion is captured by a water molecule, giving an (H(3)O)(+) Complex: this can coordinate three hydrogen-bonded water molecules in its solvation shell. A fourth molecule in the vicinity of the oxygen atom of the complex shows strong orientational correlations with the (H(3)O)(+) complex itself (C) 2004 Elsevier B.V. All rights reserved.

引用

页码：77 / 79

页数：3

共 10 条

[1] The nature of the hydrated excess proton in water [J].