3,3′,3''-(Benzene-1,3,5-triyl)tris(1-phenyl-1H-benzo[e][1,2,4]triazin-4-yl): A C3 symmetrical blatter-type triradical

Abstract A C3 symmetrical, star-shaped, 1,2,4-benzotriazin-4-yl triradical has been prepared and characterized by X–ray, EPR, CV, UV–vis, FTIR spectroscopy and mass spectrometry. Further details regarding its structure have been deduced via computational methods [DFT/UB3LYP/6-31G (2d,p)]. The 1,2,4-benzotriazin-4-yl triradical has a quartet ground state with three unpaired electrons delocalized over three independent benzotriazinyl moieties. The computationally determined doublet-quartet energy gap ΔED-Q is 0.109 kcal mol−1.