Diffraction pattern and structure of aqueous hydrochloric acid solutions at 20 °C

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Abstract
Hydrochloric acid solutions have been studied at concentrations from pure water to saturation with both x rays (HCl/H2O) and thermal neutrons (DCl/D2O). Such an extensive study reduces greatly the nonuniqueness of interpretation usually associated with diffraction data from liquids. The structure of D2O molecules in liquid water is very similar to that found in the vapor phase, the OD distance of 0.955(5) Å being identical to the equilibrium distance in the vapor molecules. The existence of D3O+ ions with an OD distance of 1.017(5) Å in concentrated DCl is firmly established. The D3O+(H3O+) ions are hydrogen bonded to four water molecules with an H3O+⋅⋅⋅OH2 distance of 2.52(2) Å and a D3O+⋅⋅⋅D distance of 1.61(2) Å. The Cl− ions appear to be four‐coordinated by oxygen atoms at a mean distance of 3.13(1) Å, but no pronounced Cl⋅⋅⋅D distances indicating a well‐oriented hydration shell about Cl− could be identified.

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