The synthesis of sulfur-embedded hexapyrrolohexaazacoronene (HPHAC) analog 2 and its corresponding desulfurized and rearranged compounds was achieved from tetrafluoroisothianaphthene. Structures of all the new π-skeletons were determined by X-ray crystallography. Comparison of the electronic spectrum of 2 with those of its derivatives revealed less involvement of the sulfur atom in π-conjugation. Similar to the reference HPHAC (1), compound 2 and its derivatives exhibited reversible oxidation behavior. The aromaticity of both neutral and dication states has been investigated through DFT calculations.

中文翻译：

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外周嵌入硫的吡咯稠合氮杂苯类似物

以四氟异硫茚为原料合成了嵌入硫的六吡咯并六氮杂苯(HPHAC)类似物2及其相应的脱硫重排化合物。所有新的π-骨架的结构均通过X射线晶体学确定。2与其衍生物的电子谱比较表明，硫原子较少参与 π 共轭。与参考HPHAC( 1 )类似，化合物2及其衍生物表现出可逆氧化行为。通过 DFT 计算研究了中性和双阳离子状态的芳香性。