Black HPHAC: Synthesis and Properties of DinitroHPHAC and Its Reduced Global Aromaticity in the Dication State
Black HPHAC: Synthesis and Properties of DinitroHPHAC and Its Reduced Global Aromaticity in the Dication State
复制标题
黑色HPHAC：二硝基HPHAC的合成和性能及其在双阳离子状态下降低的整体芳香性
DOI：
10.1142/s1088424621500966
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发表时间：
2021
期刊：
影响因子：
--
通讯作者：
H.*
中科院分区：
文献类型：
--
作者：
Sasaki;Y.; Fujikawa;Y.; Takase;M.*; Uno;H.*
采用“3+3”缩合法合成了双环[2.2.2]辛烷（BCOD）-二硫杂甲基嘧啶4。BCOD部分的热转化得到四苯并二硫杂甲基嘧啶5。通过X射线衍射研究证实了4和5的高度平面结构。1H NMR、吸收光谱、MCD谱和TD-DFT计算表明，BCOD稠合和扩链的二硫杂甲基嘧啶均具有24位反芳香性。
Bicyclo[2.2.2]octadiene(BCOD)-fused dithiaamethyrin4was synthesizedviaa “3+3” condensation method. Thermal conversion of the BCOD moieties afforded tetrabenzodithiaamethyrin5. The highly planar structures of4and5were confirmed by X-ray diffraction studies. The1H NMR, absorption and MCD spectra, together with TD-DFT calculations revealed that both BCOD-fused and-extended dithiaamethyrins have a 24antiaromatic character.