The Mystery of Dibenzoterrylene: A Clar‐interlocked Biphenalenyl Biradical
The first time in-depth characterization of dibenzoterrylene (DBT) was performed by a combination of various experimental and computational techniques. First structure confirmation and atom assignment were achieved by means of 2D-NMR and powder X-ray. DFT methods shed light on the conformational space of DBT and, more importantly, on the complex electronic structure of the molecule. DBT appears to be the first studied molecule, two low-lying conformers of which have drastically different biradical character. EPR and NMR studies show the effect of solvent on the population of the biradical state. This demonstrates the perspectives of the usage of DBT and its derivatives in spintronics and other quantum technologies.
Authors
- Mikhail A. Kalinin (ORCID: https://orcid.org/0000-0002-0056-4813)
- Haleh Hashemi Haeri
- Dmitry Sharapa (ORCID: https://orcid.org/0000-0001-9510-9081)
- Dariush Hinderberger (ORCID: https://orcid.org/0000-0002-6066-7099)
- Alexandra Ya. Freidzon (ORCID: https://orcid.org/0000-0002-7473-7692)
- Harald Maid
- Konstantin Amsharov (ORCID: https://orcid.org/0000-0002-2854-8081)
- Aleksandr S. Oshchepkov (ORCID: https://orcid.org/0000-0002-1321-8485)
- Robert E. Dinnebier (ORCID: https://orcid.org/0000-0003-2778-2113)
- Elena A. Kalinina
Institutions
- Karlsruhe Institute of Technology (DE)
- Friedrich-Alexander-Universität Erlangen-Nürnberg (DE)
- Max Planck Institute for Solid State Research (DE)
- Max Planck Institute for the Science of Light (DE)
- Weizmann Institute of Science (IL)
- Martin Luther University Halle-Wittenberg (DE)
Publication Details
- Journal
- Chemistry - A European Journal
- Published
- 2025-11-10
- DOI
- https://doi.org/10.1002/chem.202502952
- Primary Topic
- Synthesis and Properties of Aromatic Compounds
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Deutsche Forschungsgemeinschaft
- Bundesministerium für Bildung und Forschung