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Article dans une revue Journal of Magnetic Resonance Année : 2023

Deciphering the Ground State of a C 3 -Symmetrical Blatter-type Triradical by CW and pulse EPR Spectroscopy

Résumé

3,3',3''-(Benzene-1,3,5-triyl)tris(1-phenyl-1H-benzo[e][1,2,4]triazin-4-yl) (1) is a C 3-symmetrical triradical comprised of three Blatter radical units connected at the 1, 3, 5 positions of a central trimethylenebenzene core. This triradical has an excellent air, moisture, and thermal stability. Single-crystal XRD indicates that triradical 1 adopts a propeller-like geometry with the benzotriazinyl moieties twisted by 174.1(2)° and packs in 1D chains along the c axis to form an extensive network of weak intermolecular interactions. Frozen solution continuous wave (CW) EPR spectra and variable-temperature field-sweep echo-detected (FSED) spectra revealed an intramolecular ferromagnetic exchange within the spin system, supporting a quartet S = 3/2 ground state. DFT calculations further supported these experimental findings.

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Dates et versions

hal-04280345, version 1 (10-11-2023)

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Athanassios Boudalis, Christos Constantinides, Nicolas Chrysochos, Raanan Carmieli, Gregory Leitus, et al.. Deciphering the Ground State of a C 3 -Symmetrical Blatter-type Triradical by CW and pulse EPR Spectroscopy. Journal of Magnetic Resonance, 2023, 349, pp.107406. ⟨10.1016/j.jmr.2023.107406⟩. ⟨hal-04280345⟩
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