@article{10.1016/j.chemphys.2026.113518,
    author = {Kuznetsov, Danil and Usatov, Mikhail S. and Dobrynin, Sergey and Bagryanskaya, Irina and Melnikov, Anatoly R. and Kirilyuk, Igor and Lins, Jonas and Gutmann, Torsten and Bagryanskaya, Elena G.},
    title = {Synthesis, magnetic resonance properties and DNP of sterically shielded trans-3,7-diazabicyclo[3.3.0]octane nitroxide biradicals},
    journal = {Chemical Physics},
    volume = {613},
    pages = {113518},
    year = {2027},
    month = {02},
    issn = {0301-0104},
    abstract = {In the present study, we synthesized six biradicals based on these bicyclic nitroxides and characterized their magnetic resonance properties. EPR spectra were recorded at room temperature and 80 K, and electron spin relaxation times were measured using pulsed EPR spectroscopy. Simulation of the EPR spectra allowed determination of the exchange interaction between radical centers. The results revealed that different diastereoisomers of the biradicals exhibit substantially different exchange coupling constants, whereas replacement of one ethyl group with tert-butyl group does not significantly affect the exchange interaction. Quantum-chemical calculations were performed, revealing differences in the mobility and orientations of the nitroxide fragments within these biradicals. One of the biradicals was evaluated as a potential dynamic nuclear polarization (DNP) agent and showed an enhancement factor of 18 for both 1H MAS and 1H → 13C CP MAS.},
    doi = {10.1016/j.chemphys.2026.113518},
    url = {https://doi.org/10.1016/j.chemphys.2026.113518},
}