Charge transfer between ions and their surrounding waters has substantial effects on intermolecular interactions. Charge transfer is especially important in asymmetric environments like interfaces. At neat water's liquid/vapor interface, charge transfer results in layers of water molecules with average net charges, due to broken hydrogen bonds. An ion's solvation shell can be altered at the interface, increasing in asymmetry and nearest-neighbor distances, which in turn affects charge transfer. Effects of charge transfer on ion solvation and adsorption at the interface are investigated, using recently developed charge-transfer potential models. Potentials of mean force show equilibrium positions of ions, with respect to either an average interface or the instantaneous interface. The influence of interfacial curvature, due to capillary waves, on ion position is under investigation as well. How charge transfer affects the free energy of ions near the interface will be explained.

Effects of charge transfer on ion adsorption to the liquid water/vapor interface

245th National Meeting (2013)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.