Molecular dynamics study of raman scattering and infrared absorption of ferrous and ferric ions in aqueous solution

Abstract

AbstractUsing a molecular dynamics computer model of water and ion water potentials we have used earlier to study electrolyte structure, we have calculated the infrared absorption and Raman scattering rates of ferrous and ferric ions in aqueous solution. Results for the Raman scattering from the ferric ion in solution are compared with experiments on molten Fe(NO3)3 · 28 H2O. The comparison suggests some new interpretations of the experiments.