N. Manini et al., ELECTRON-VIBRON INTERACTIONS IN CHARGED FULLERENES .2. PAIR ENERGIES AND SPECTRA, Physical review. B, Condensed matter, 49(18), 1994, pp. 13008-13016
The ground-state energy shifts and excitation spectra of charged fulle
renes C-60(n-), n = 1,...,5 are calculated. The electron-vibron Hamilt
onian of part I is extended to include all A(g) and H(g) modes with ex
perimentally determined frequencies and theoretically estimated coupli
ng constants. Complex splitting patterns of H(g) vibrational levels ar
e found. Our results are relevant to EPR measurements of spin splittin
gs in C-60(2-) and C-60(3-) in solution. Spectroscopic gas-phase exper
iments will be of interest for further testing of this theory. As foun
d in part I, degeneracies in the electron and vibron Hamiltonians give
rise to a dynamical Jahn-Teller effect, and to a considerable enhance
ment of the electronic pairing interaction. This helps to overcome rep
ulsive Coulomb interactions and has important implications for superco
nductivity in K3C60 and the insulating state in K4C60.