Document Type

Thesis - Open Access

Award Date

1968

Degree Name

Master of Science (MS)

Department

Physics

Abstract

Valence-bond theory (or the Reitler-London-Slater-Pauling theory) has been extensively applied to planar molecules and to nonresonating nonplanar structures. Recently, Mullaney made use of symmetry in polyhedral structures to determine how the spin-state functions may combine. This spin-state approach was applied to square, hexagon, tetrahedron, octahedron, and cubic configurations. The calculations indicated no bonding in the cube, octahedron, and tetrahedron; yet such configurations exist in nature. In arriving at the ground state energies for the various geometries, Mullaney assumed that a valance electron is associated with each atom. Multiple-exchange and transfer integrals were neglected. This thesis will investigate the methods and effects of including additional orbitals, electron transfer, and multiple exchange in the tetrahedron. The electron-transfer process is shown to be responsible for the bonding in this structure. The results are applied in the B4Cl4 molecule.

Library of Congress Subject Headings

Molecular obrits

Format

application/pdf

Publisher

South Dakota State University

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