AI Article Synopsis
- 1. The compound 3,3',3''-(Benzene-1,3,5-triyl)tris(1-phenyl-1H-benzo[e][1,2,4]triazin-4-yl) is a C-symmetrical triradical, consisting of three Blatter radical units linked to a central trimethylenebenzene core.
- 2. This triradical exhibits impressive stability against air, moisture, and heat, and its structure is characterized by a propeller-like shape, with benzotriazinyl groups twisted at a significant angle, leading to 1D chain packing due to weak intermolecular interactions.
Article Abstract
3,3',3''-(Benzene-1,3,5-triyl)tris(1-phenyl-1H-benzo[e][1,2,4]triazin-4-yl) (1) is a C-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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| http://dx.doi.org/10.1016/j.jmr.2023.107406 | DOI Listing |
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