Coordination Numbers of Bivalent Ions in Organic Solvents

Abstract Molecular dynamic models are created for properties of bivalent ions in organic solvents. It is shown that molecules the considered solvents bound to via oxygen atoms. A theoretical model developed describes ion coordination number. The number this determined by ratio between sizes and atom molecule it. depends weakly on solvent strongly type ion. value 0.13 nm obtained effective size an a constructed agrees with results from molecular calculations available experimental data.