Radially π-Extended Pyrrole-Fused Azacoronene: A Series of Crystal Structures of HPHAC with Various Oxidation States
Radially π-Extended Pyrrole-Fused Azacoronene: A Series of Crystal Structures of HPHAC with Various Oxidation States
复制标题
径向π延伸吡咯稠合氮杂苯：一系列具有不同氧化态的HPHAC晶体结构
DOI：
10.1021/acs.joc.0c02825
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发表时间：
2021
期刊：
影响因子：
--
通讯作者：
Uno Hidemitsu
中科院分区：
文献类型：
--
作者：
Sasaki Yoshiki;Takase Masayoshi;Kobayashi Nagao;Mori Shigeki;Ohara Keishi;Okujima Tetsuo;Uno Hidemitsu
以2，5-二叔丁基并[1，2-c]吡咯和六氟苯为原料，分两步合成了径向π扩展的六氢吡咯六氮杂冠烯(HPHAC2)。与其亲本HPHAC1a一样，2也表现出可逆氧化行为。不仅揭示了中性和阳离子化合物的晶体结构，而且还揭示了自由基阳离子的晶体结构。在分析其特殊结构的同时，通过核磁共振和吸收分析，观察到它与C60在溶液中形成了1：1的络合物。基于磁圆二色谱和理论计算，对化合物2和1a进行了光谱分析。
Radially π-extended hexapyrrolohexaazacoronene (HPHAC2) was synthesized in two steps with 2,5-di-tert-butyl-acenaphtho[1,2-c]pyrrole and hexafluorobenzene. Like its parent HPHAC1a,2exhibited reversible oxidation behavior. Crystal structures of not only the neutral and dicationic compounds but also the radical cation were all revealed. While analyzing its peculiar structure, the formation of a 1:1 complex with C60was observed in solution by NMR and absorption analyses. The spectroscopic analyses of2and1awere performed based on magnetic circular dichroism and theoretical calculations.