Electron-Ion Interactions and Ionization in a Polar Solvent

Abstract

The ionization of a lithium atom immersed in liquid ammonia has been studied by quantum path-integral Monte Carlo calculations. Before it eventually becomes self-trapped (solvated), the lithium $2s$ electron passes through a transition state in which it is unsolvated or quasifree. Dramatic changes occur in the lithium-ion inner solution shell during the ionization process.