A symmetrized Hückel analysis of carbon cages of Ih point group symmetry

Some new aspects of qualitative molecular-orbital theory are developed within the context of group theory and a symmetrized Hückel approximation. Conclusions concerning the eigenvalue sums for sets of eigenfunctions of the same symmetries, the occurrence of repetitions of symmetry-adapted projections and the relations between eigenvalues of Γ_g and Γ_u symmetries are exemplified using the ₁₂₀ cage structure of I_h point symmetry. The implications of the orbit-by-orbit approach are outlined for larger clusters. This revised version was published online in July 2006 with corrections to the Cover Date.