A SYMMETRIZED HUCKEL ANALYSIS OF CARBON CAGES OF I-H POINT GROUP SYMMETRY

Some new aspects of qualitative molecular-orbital theory are developed within the context of group theory and a symmetrized Huckel approxima tion. Conclusions concerning the eigenvalue sums for sets of eigenfunc tions of the same symmetries, the occurrence of repetitions of symmetr y-adapted projections and the relations between eigenvalues of Gamma(g ) and Gamma(u) symmetries are exemplified using the C-120 cage structu re of I-h point symmetry. The implications of the orbit-by-orbit appro ach are outlined for larger clusters.