Molecular orbital studies if ion hydration. Part 3.—Ion-solvent interaction
Abstract
The influence of Li+, Na+ and NH+4 ions on hydrogen bonding of near and distant water molecules has been studied by the CNDO/2 method, and the ion-molecule interactions have been assessed in terms of partitioned energies. A distinction between alkali metal ions and substituted ammonium ions is proposed. The gas-phase hydration of alkali metal ions has been shown not to occur by simple cage formation.