Extended Huckel Orbital Forces and the Jahn-Teller Distortions in Molecules

摘要

Linear orbital vibronic constants are calculated within the Extended Huckel formalism and used to evaluate the forces acting on the atoms along the symmetry coordinates, in a planar arrangement of four identical atoms. It is shown, from the magnitude and direction of the forces, that the hihg-symmetry square planar arrangement is unstable and distorts to lower symmetry.