A symmetrized Hückel analysis of carbon cages of Ih point group symmetry
Tóm tắt
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 Γg and Γu symmetries are exemplified using the 120 cage structure of Ih point symmetry. The implications of the orbit-by-orbit approach are outlined for larger clusters.
Tài liệu tham khảo
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