MICROSCOPIC DESCRIPTION OF ADSORPTION OF CYANIDE IONS AT SILVER FROM AQUEOUS-SOLUTIONS - NOVEL ASPECTS

Quantum-chemical calculations of the Ag-10. CN(H2O)(5)(-) supermolecul e are conducted, with a full optimization of the hydration-shell geome try of the cyanide ion as a function of its distance from the cluster surface. A novel approach is discussed, which combines conventional el ectrochemical techniques of investigation with the molecular orbital m odels. The approach yields a detailed microscopic information on the r eagents that form the electrical double layer and accounts for partial charge transfer (lambda). A fresh procedure for processing the experi mental data is proposed, which features a correction for lambda.