- PII
- 10.31857/S0044451024040072-1
- DOI
- 10.31857/S0044451024040072
- Publication type
- Article
- Status
- Published
- Authors
- Volume/ Edition
- Volume 165 / Issue number 4
- Pages
- 527-535
- 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.
- Keywords
- organic conductors crystal structure low temperatures fullerenes quantum mechanical calculations band structure
- Date of publication
- 16.09.2025
- Year of publication
- 2025
- Number of purchasers
- 0
- Views
- 4
References
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