Using synchrotron X-ray and neutron methods to investigate structural aspects of metal ion solvation and solution structure: An approach using empirical potential structure refinement

The microscopic structure of solutions and the interactions of their constituent chemical species are topics of long standing interest and importance in the chemical sciences. Like many fields of condensed matter research, techniques developed at large scale facilities such as X-ray synchrotrons and pulsed or reactor based neutron sources have, over the past few decades, played a significant role in unravelling many of the mysteries that underpin the chemical, physical and biochemical properties of these systems. In this article we set out to review a subset of these methods, specifically X-ray diffraction, neutron diffraction and X-ray absorption spectroscopy, as well as their combined application to the investigation of structural questions on aqueous electrolyte solutions. Particular emphasis will be given to the use of analytical approaches based on atomistic computer modelling of the experimental data. (C) 2014 Elsevier B.V. All rights reserved.