The effect of cooperative Jahn–Teller interactions on C60− anions

Moujaes, Elie A.; Dunn, Janette L.

Abstract

Singly charged buckminsterfullerene anions, C60−, are subject to a strong intramolecular T [circle times] h Jahn–Teller (JT) effect. When such ions interact with other C60− ions in a solid through a cooperative JT effect, they will be subject to an additional interaction. There are a number of different mechanisms that can cause this interaction. However, in the molecular field approximation, all can be modelled phenomenologically in terms of a symmetry-lowering interaction written in terms of a linear combination of electronic operators for the h modes involved in the intramolecular JT effect. We will consider the combined effect of this distortion and the intramolecular JT effect. We will analyse the lowest adiabatic potential energy surface, and calculate the energies of the resultant vibronic states. The results are shown to have a complicated dependence on the particular combination of h modes chosen, and the energies of the resultant vibronic states cannot easily be deduced from the form of the potential alone.

Citation

Moujaes, E. A., & Dunn, J. L. (2010). The effect of cooperative Jahn–Teller interactions on C60− anions. Journal of Physics: Condensed Matter, 22(8), https://doi.org/10.1088/0953-8984/22/8/085007

• Journal Article Type: Article
• Publication Date: Feb 3, 2010
• Deposit Date: Jun 29, 2010
• Publicly Available Date: Jun 29, 2010
• Journal: Journal of Physics. Condensed Matter
• Electronic ISSN: 0953-8984
• Publisher: IOP Publishing
• Peer Reviewed: Peer Reviewed
• Volume: 22
• Issue: 8
• DOI: https://doi.org/10.1088/0953-8984/22/8/085007
• Keywords: Fullerene, C60, cooperative interactions
• Public URL: https://nottingham-repository.worktribe.com/output/706014
• Publisher URL: http://iopscience.iop.org/0953-8984/22/8/085007