Phenanthro[9,10-a]corannulene by one-step annulative π-extension of corannulene
Phenanthro[9,10-a]corannulene by one-step annulative π-extension of corannulene
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DOI：
10.1139/cjc-2016-0467
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发表时间：
2017-03-01
影响因子：
1.1
通讯作者：
Itami, Kenichiro
中科院分区：
文献类型：
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作者：
Kato, Kenta;Segawa, Yasutomo;Itami, Kenichiro
通过钯催化的C-H偶联反应，实现了棒轮烯的一步pi延伸反应。研究了菲并[9，10-a]冠轮烯(1)的X-射线晶体结构和光物理性质，并用密度泛函理论计算了其结构性质。与二苯并[g，p]黄烯相比，1的最稳定结构是蝴蝶状结构，这是由于珊瑚环烯部分的碗状扭曲所致。
The one-step pi-extension of corannulene was achieved using a palladium-catalyzed C-H coupling reaction. The X-ray crystal structure and photophysical properties of the thus formed phenanthro[9,10-a]corannulene (1) were investigated, and the structural properties of 1 were examined by density functional theory calculations. In contrast to dibenzo[g,p]chrysene, the most stable structure of 1 was a butterfly-shaped structure, resulting from the bowl-shaped distortion of the corannulene moiety.