We studied the energetics and the geometry of the distorted triplet structures of C50, C56and C58theoretically within a simple one-electron-per-site model. Excited state wave functions were constrained into lower symmetries by appropriate group theoretical projection technics. Jahn-Teller distortions were monitored for degenerate vertical excitations. The distortion energies are typically a few tens of meV, the largest value (−0.1 eV) was found for theC2v3A1and3B1states of C50Zero-neld-splittings of various triplets were evaluated; the signs and values of the resultingDandEparameters axe quite sensitive to the system and to the symmetry of the particular excited state.
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