Role of the Partial Charge Transfer on the Chloride Adlayers on Au(100)

We focused on a controversial old issue of the electrochemistry community, partial charge transfer reactions. We chose as paradigmatic example the adlayers of chloride on Au(100) electrodes. In the light of new developments we have investigated the nature of the bond of 84 different geometrical configurations and 102 single adsorption events for different coverages. In all the cases the adsorbed chloride is partially charged. The electronic properties of these adlayers are discussed on the basis of the analysis of dipole moments, electronic charge density redistribution, density of electronic states and changes in the work function.