Journal of Physics C Solid State Physics · 1980 · 73 citations · 7 references
Natural SciencesChemistryInorganic ChemistryPhysical ChemistryQuantum ChemistryAb Initio MethodsAqueous EquilibriumHydrationSolvation TheoryFirst-order Difference EquationsHydration BehaviorHydration InteractionsIon HydrationIon-water InteractionsIsotopic Ratios
The neutron first-order difference method has been applied to a 4.49 molal aqueous solution of CaCl 2 . Isotopic changes were made in both the Ca 2+ ion and the Cl - ion so that a complete picture of ionic hydration could be obtained. Both ions coordinate water in a non-dipolar configuration with ion-oxygen distances close to those predicted by gas-phase quantum molecular calculations. The measured hydration numbers for cations and anions (5.5+or-0.3 and 5.8+or-0.3 respectively) imply substantial sharing of water molecules between the ions.
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G. Pálinkás, Wolfgang Riede, K. Heinzinger · Zeitschrift für Naturforschung A · 1977 · 108 citations · Full text
Peter A. Kollman, Irwin D. Kuntz · Journal of the American Chemical Society · 1972 · 97 citations