化学
结晶学
二面角
部分
杂原子
芳香性
吡咯
兴奋剂
戒指(化学)
晶体结构
立体化学
分子
凝聚态物理
有机化学
氢键
物理
作者
Kosuke Oki,Masayoshi Takase,Shigeki Mori,Akitoshi Shiotari,Yoshiaki Sugimoto,Kouzou Ohara,Tetsuo Okujima,Hidemitsu Uno
摘要
A core-expanded, pyrrole-fused azacoronene analogue containing two unusual N-doped heptagons was obtained from commercially available octafluoronaphthalene and 3,4-diethylpyrrole in two steps as a heteroatom-doped nonplanar nanographene. Full fusion with the formation of the tetraazadipleiadiene framework and the longitudinally twisted structure was unambiguously confirmed by single-crystal X-ray diffraction analysis. The edge-to-edge dihedral angle along the acene moiety was 63°. This electron-rich π-system showed four reversible oxidation peaks. Despite the nonplanar structure, the Hückel aromaticity owing to a peripheral π-conjugation in the dicationic state was concluded from the bond-length alternation and nucleus-independent chemical shift (NICS) and anisotropy of the induced current density (ACID) calculations.
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