Solvation shell of OH− ions in water

Abstract 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 (H3O)+ 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 (H3O)+ complex itself.

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