X-ray and neutron scattering studies of the hydration structure of alkali ions in concentrated aqueous solutions

Ansell, S. and Barnes, A.C. and Mason, P.E. and Neilson, G.W. and Ramos, Silvia (2006) X-ray and neutron scattering studies of the hydration structure of alkali ions in concentrated aqueous solutions. Biophysical Chemistry, 124 (3). pp. 171-179. ISSN 0301-4622. (doi:https://doi.org/10.1016/j.bpc.2006.04.018) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided)

The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided. (Contact us about this Publication)
Official URL
https://doi.org/10.1016/j.bpc.2006.04.018

Abstract

The presence of ions in water provides a rich and varied environment in which many natural processes occur with important consequences in biology, geology and chemistry. This article will focus on the structural properties of ions in water and it will be shown how the 'difference' methods of neutron diffraction with isotopic substitution (NDIS) and anomalous X-ray diffraction (AXD) can be used to obtain direct information regarding the radial pair distribution functions of many cations and anions in solution. This information can subsequently be used to calculate coordination numbers and to determine ion-water conformation in great detail. As well as enabling comparisons to be made amongst ions in particular groups in the periodic table, such information can also be contrasted with results provided by molecular dynamics (MD) simulation techniques. To illustrate the power of these 'difference' methods, reference will be made to the alkali group of ions, all of which have been successfully investigated by the above methods, with the exception of the radioactive element francium. Additional comments will be made on how NDIS measurements are currently being combined with MD simulations to determine the structure around complex ions and molecules, many of which are common in biological systems. © 2006 Elsevier B.V. All rights reserved.

Item Type: Article
Uncontrolled keywords: Aqueous solution, Ionic hydration, Isotopic substitution, Neutron scattering, X-ray scattering, alkali, anion, cation, francium, ion, radioactive element, water, aqueous solution, article, chemical structure, concentration (parameters), conformation, hydration, molecular dynamics, neutron diffraction, neutron scattering, priority journal, radiation scattering, simulation, solution and solubility, water analysis, X ray diffraction, Ions, Isotopes, Metals, Alkali, Models, Molecular, Molecular Structure, Neutron Diffraction, Water, X-Ray Diffraction
Subjects: Q Science > QC Physics > QC173.45 Condensed Matter
Q Science > QC Physics
Q Science > QD Chemistry > QD473 Physical properties in relation to structure
Divisions: Faculties > Sciences > School of Physical Sciences
Faculties > Sciences > School of Physical Sciences > Functional Materials Group
Depositing User: Silvia Ramos
Date Deposited: 05 Dec 2017 22:43 UTC
Last Modified: 07 Dec 2017 10:30 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/46994 (The current URI for this page, for reference purposes)
Ramos, Silvia: https://orcid.org/0000-0003-2725-7706
  • Depositors only (login required):