Structural parameters of the nearest environment of ions in aqueous solutions of ytterbium chloride

详细

The radial distribution functions (RDFs) of aqueous solutions of ytterbium chloride were calculated using previously collected X-ray diffraction data for a wide range of solution concentrations under ambient conditions. Different solution structure models were constructed. Theoretical RDFs were calculated for each model. The optimum models for all systems studied were chosen based on the best fit between the theoretical and experimental RDFs. Quantitative characteristics of the nearest environment of Yb³⁺ and Cl^– ions in solutions, namely, the coordination number, interparticle distances, and types of ion pairs were determined. The average number of water molecules in the first coordination sphere of the cation decreases from 8.2 to 6.0 as the solution concentration increases. The structure of all systems investigated is governed by non-contact ion associates throughout the concentration range studied.