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 ΔE_D-Q is 0.109 kcal mol⁻¹.

中文翻译：

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3,3'，3''-（苯-1,3,5-三基）三（1-苯基-1 H-苯并[ e ] [1,2,4]三嗪-4-基）：对称的C3布拉特型三基

制备了C3对称的星形1,2,4-苯并三嗪-4-基三自由基，并通过X射线，EPR，CV，UV-vis，FTIR光谱和质谱进行了表征。有关其结构的更多详细信息，已通过计算方法[DFT / UB3LYP / 6-31G（2d，p）]得出。1,2,4-苯并三嗪-4-基三自由基具有四重基态，其中三个未配对电子在三个独立的苯并三嗪基部分上离域。计算确定的二重态-四重态能隙ΔE _D-Q为0.109 kcal mol ^-1。