Energy components in a lattice of ions and dipoles:Application to the K(THF)xC24compounds (x=1,2)

Abstract

The ion-ion, ion-dipole, and dipole-dipole interaction energies of a three-component crystal lattice are explained and calculated by the Ewald-Kornfeld method, and the relationships thus derived are applied to the K(THF${)}_{\mathrm{x}}$${\mathrm{C}}_{24}$ (x=1 or 2, THF denotes tetrahydrofuran) intercalation compounds of graphite to obtain information on the orientation of the dipolar THF molecules in the lattice.