Electron--Vibron Interactions in Charged Buckminsterfullerene: Pair Energies and Spectra (Part II)

Abstract

The ground state energy shifts and excitation spectra of charged buckminsterfullerene C${}_{60}^{n-}$, $n=1,\dots 5$ are calculated. The electron--vibron Hamiltonian of Part I is extended to include all $A_g$ and $H_g$ modes with experimentally determined frequencies and theoretically estimated coupling constants. Complex splitting patterns of $H_g$ vibrational levels are found. Our results are relevant to EPR measurements of spin splittings in C${}_{60}^{2-}$ and C${}_{60}^{3-}$ in solution. Spectroscopic gas-phase experiments will be of interest for further testing of this theory. As found in Part I, degeneracies in the electron and vibron Hamiltonians give rise to a dynamical Jahn Teller effect, and to a considerable enhancement of the electronic pairing interaction. This helps to overcome repulsive Coulomb interactions and has important implications for superconductivity in K${}_3$C${}_{60}$ and the insulating state in K${}_4$C${}_{60}$.

28 pages (+3 ps figures), LATEX, report-number: BM5155

References in corpus (2)

• Electron--Vibron Interactions and Berry Phases in Charged Buckminsterfullerene: Part I
• In-Situ Infrared Transmission Study of Rb- and K-Doped Fullerenes

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