The Mystery of Dibenzoterrylene: a Clar-interlocked Biphenalenyl Biradical

Kalinina EA, Kalinin MA, Sharapa DI, Maid H, Freidzon A, Haeri HH, Hinderberger D, Dinnebier R, Oshchepkov AS, Amsharov KY (2025)

Publication Type: Journal article

Publication year: 2025

Journal

Chemistry - A European Journal Wiley

DOI: 10.1002/chem.202502952

Abstract

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 with CRIS profile

Harald Maid Lehrstuhl für Organische Chemie II

Involved external institutions

Martin-Luther-Universität Halle-Wittenberg (MLU) DE Germany (DE) Max-Planck-Institut für die Physik des Lichts (MPL) / Max Planck Institute for the Science of Light DE Germany (DE) Karlsruhe Institute of Technology (KIT) DE Germany (DE) Weizmann Institute of Science IL Israel (IL) Max-Planck-Institut für Festkörperforschung DE Germany (DE)

How to cite

APA:

Kalinina, E.A., Kalinin, M.A., Sharapa, D.I., Maid, H., Freidzon, A., Haeri, H.H.,... Amsharov, K.Y. (2025). The Mystery of Dibenzoterrylene: a Clar-interlocked Biphenalenyl Biradical. Chemistry - A European Journal. https://doi.org/10.1002/chem.202502952

MLA:

Kalinina, Elena A., et al. "The Mystery of Dibenzoterrylene: a Clar-interlocked Biphenalenyl Biradical." Chemistry - A European Journal (2025).

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