Phenanthro9,10-acorannulene by one-step annulative pi-extension of corannulene

摘要

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 phenanthro9,10-acorannulene (1) were investigated, and the structural properties of 1 were examined by density functional theory calculations. In contrast to dibenzog,pchrysene, the most stable structure of 1 was a butterfly-shaped structure, resulting from the bowl-shaped distortion of the corannulene moiety.