Free-electron molecular-orbital calculations for inorganic systems. Part 2.—Tetrahedral, square, octahedral, trigonal prismatic, hexagonal, cubic, archimedian anti-prismatic, and icosahedral free-electron networks

Abstract

The free electron molecular orbital network model is applied to a series of regular three-dimensional polyhedral networks. The problem of accounting for the separation of σ- and π-systems on this model is discussed and the model is applied to a number of boron based polyhedral molecules. Some success is achieved in accounting for the shapes and stabilities of the known molecules and ions.