Intermolecular Potential for Silicon Tetrafluoride

Abstract

We have examined to give a molecular potential for silicon tetrafluoride which describes accurately the interactions between molecules. It was found that the spherical interaction of the Lennard-Jones form and the electrostatic octopole-octopole interaction between neighboring molecules fails to explain the various physical properties of SiF₄, whereas an addition of anisotropic Lennard-Jones potentials between nonbonded atoms gives a satisfactory account of these properties. The value of the potential parameters is evaluated and discussed by comparing with experimental data.