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ELECTRONIC STRUCTURE AND JAHN–TELLER DISTORTIONS IN FULLERENE COMPLEX C60•−-MDABCO+-TPC-I
- Authors: Kuz'min A.V.1, Khasanov C.C.1, Konarev D.V.2
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Affiliations:
- Institute of Solid State Physics named after Yu. A. Osipyan, Russian Academy of Sciences
- Federal Research Center for Chemical Physics and Medical Chemistry of the Russian Academy of Sciences
- Issue: Vol 165, No 4 (2024)
- Pages: 527-535
- Section: Articles
- URL: https://journals.rcsi.science/0044-4510/article/view/258987
- DOI: https://doi.org/10.31857/S0044451024040072
- ID: 258987
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Abstract
Using X-ray diffraction analysis and quantum-chemical modeling methods, a crystal of a layered organic conductor based on fullerene radical anions, -MDABCO+-TPC-I, has been studied. The quasi- two-dimensional electronic structure of its conducting fullerene layers, types of monoanion deformation and their causes from the perspective of Jahn–Teller interactions have been investigated. It has been shown that crystallographically nonequivalent fullerenes are characterized by different cage distortions, which result in significant differences in the electronic band diagrams of the corresponding fullerene layers.
About the authors
A. V. Kuz'min
Institute of Solid State Physics named after Yu. A. Osipyan, Russian Academy of Sciences
Email: kuzminav@issp.ac.ru
Russian Federation, 142432, Chernogolovka, Moscow region
C. C. Khasanov
Institute of Solid State Physics named after Yu. A. Osipyan, Russian Academy of Sciences
Email: kuzminav@issp.ac.ru
Russian Federation, 142432, Chernogolovka, Moscow region
D. V. Konarev
Federal Research Center for Chemical Physics and Medical Chemistry of the Russian Academy of Sciences
Author for correspondence.
Email: kuzminav@issp.ac.ru
Russian Federation, 142432, Chernogolovka, Moscow region
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