Structure and water exchange dynamics of hydrated oxo halo ions in aqueous solution using QMCF MD simulation, large angle X-ray scattering and EXAFS

Abstract

The structure and water exchange dynamics of the hydrated oxo halo ions in aqueous solution, studied by QMCF MD simulation and experimental X-ray methods, show that they are all structure breakers, thus the hydrogen bonding between the ion and surrounding water molecules is weaker than between water molecules in pure water.