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Jahn-Teller effects and surface interactions in multiply-charged fullerene anions and the effect on scanning tunneling microscopy images

Dunn, Janette L.; Alqannas, Haifa S.; Lakin, Andrew J.

Authors

Janette L. Dunn janette.dunn@nottingham.ac.uk

Haifa S. Alqannas

Andrew J. Lakin



Abstract

We investigate the combined effects of Jahn-Teller (JT) coupling and interactions with a surface substrate on fullerene anions C$_{60}^{2-}$ to C$_{60}^{4-}$. JT coupling alone causes the C$_{60}$ ions to instantaneously distort from the icosahedral symmetry of the neutral molecule to a lower symmetry, with the molecule moving dynamically between a set of equivalent distortions. When adsorbed on a surface, the number of equivalent minimum-energy distortions is reduced. The implications of this on observed scanning tunneling microscopy (STM) images will be discussed, and comparisons made with existing experimental data. We show that a consistent interpretation of the images from all of the charge states of C$_{60}$ can only be obtained using a JT model in which the symmetry is further reduced by surface interactions. The comparison with experimental data also allows us to determine relationships between the quadratic Jahn-Teller coupling and surface interaction parameters.

Journal Article Type Article
Publication Date Oct 16, 2015
Journal Chemical Physics
Print ISSN 0301-0104
Electronic ISSN 0301-0104
Publisher Elsevier
Peer Reviewed Peer Reviewed
Volume 460
Pages 14-25
APA6 Citation Dunn, J. L., Alqannas, H. S., & Lakin, A. J. (2015). Jahn-Teller effects and surface interactions in multiply-charged fullerene anions and the effect on scanning tunneling microscopy images. Chemical Physics, 460, 14-25. https://doi.org/10.1016/j.chemphys.2015.05.016
DOI https://doi.org/10.1016/j.chemphys.2015.05.016
Keywords Jahn-Teller, Fullerene, Fulleride, STM
Publisher URL http://www.sciencedirect.com/science/article/pii/S0301010415001408
Copyright Statement Copyright information regarding this work can be found at the following address: http://creativecommons.org/licenses/by-nc-nd/4.0

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Copyright Statement
Copyright information regarding this work can be found at the following address: http://creativecommons.org/licenses/by-nc-nd/4.0





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