Linker effect on the exchange and dipolar coupling in TEMPO-based radicals and diradicals

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  • Published inRussian Chemical Bulletin
  • Date
  • CitationKuznetsov D.A., Zakirov A.M., Medved’ko A.V., Melnikov A.R., Bagryanskaya E.G., Vatsadze S.Z. "Linker effect on the exchange and dipolar coupling in TEMPO-based radicals and diradicals" Russ. Chem. Bull. 2026. 75(7). P. 2177-2184. https://doi.org/10.1007/s11172-026-5066-3
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Abstract

TEMPO-based mono- and diradicals were studied by EPR spectroscopy in liquid (300 K) and frozen (80 K) solutions. Quantum chemical calculations of various conformations of the diradicals were performed. The hyperfine coupling constants and exchange constants of the diradicals were obtained by comparing the experimental and simulated EPR spectra. The strength of dipole-dipole interaction between the unpaired electrons in the diradicals was evaluated using the average distance between the radical centers. The X-band electron spin relaxation times were measured. It was concluded that diradicals can be used as polarizing agents for dynamic nuclear polarization.