Charge transfer in (M—OH2)n+ complexes and its possible bearing on the electric mobility of small cations

Abstract The failure of theoretical approaches to account for the dependence of the electric mobilities of small cations on ion size and charge has led us to investigate the possible influence of quantum-mechanical effects on electric mobilities. Ab initio SCF calculations show that charge transfer in complexes of the type (M—OH 2 ) n + shows a similar trend with atomic number as that found for ionic conductances in aqueous solutions. This match can be interpreted in terms of the energies involved in the bonding of water molecules in the solvation sheath.