The effect of cooperative Jahn–Teller interactions on C60− anions
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 diff...
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| Format: | Article |
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IOP Publishing
2010
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| Online Access: | https://eprints.nottingham.ac.uk/1331/ |
| _version_ | 1848790587277312000 |
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| author | Moujaes, Elie A. Dunn, Janette L. |
| author_facet | Moujaes, Elie A. Dunn, Janette L. |
| author_sort | Moujaes, Elie A. |
| building | Nottingham Research Data Repository |
| collection | Online Access |
| description | 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. |
| first_indexed | 2025-11-14T18:14:59Z |
| format | Article |
| id | nottingham-1331 |
| institution | University of Nottingham Malaysia Campus |
| institution_category | Local University |
| last_indexed | 2025-11-14T18:14:59Z |
| publishDate | 2010 |
| publisher | IOP Publishing |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | nottingham-13312020-05-04T16:29:03Z https://eprints.nottingham.ac.uk/1331/ The effect of cooperative Jahn–Teller interactions on C60− anions Moujaes, Elie A. Dunn, Janette L. 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. IOP Publishing 2010-02-03 Article PeerReviewed Moujaes, Elie A. and Dunn, Janette L. (2010) The effect of cooperative Jahn–Teller interactions on C60− anions. Journal of Physics. Condensed Matter, 22 (8). 085007. ISSN 0953-8984 Fullerene C60 cooperative interactions http://iopscience.iop.org/0953-8984/22/8/085007 doi:10.1088/0953-8984/22/8/085007 doi:10.1088/0953-8984/22/8/085007 |
| spellingShingle | Fullerene C60 cooperative interactions Moujaes, Elie A. Dunn, Janette L. The effect of cooperative Jahn–Teller interactions on C60− anions |
| title | The effect of cooperative Jahn–Teller interactions on C60− anions |
| title_full | The effect of cooperative Jahn–Teller interactions on C60− anions |
| title_fullStr | The effect of cooperative Jahn–Teller interactions on C60− anions |
| title_full_unstemmed | The effect of cooperative Jahn–Teller interactions on C60− anions |
| title_short | The effect of cooperative Jahn–Teller interactions on C60− anions |
| title_sort | effect of cooperative jahn–teller interactions on c60− anions |
| topic | Fullerene C60 cooperative interactions |
| url | https://eprints.nottingham.ac.uk/1331/ https://eprints.nottingham.ac.uk/1331/ https://eprints.nottingham.ac.uk/1331/ |