期刊
CANADIAN JOURNAL OF CHEMISTRY
卷 95, 期 3, 页码 329-333出版社
CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS
DOI: 10.1139/cjc-2016-0467
关键词
corannulene; annulative pi-extension; phenanthro[9,10-a]corannulene
资金
- Japan Science and Technology Agency (JST)
- Ministry of Education, Culture, Sports, Science and Technology (MEXT) [16K05771]
- Integrative Graduate Education and Research Program in Green Natural Sciences
- World Premier International Research Center (WPI) Initiative, Japan
- Grants-in-Aid for Scientific Research [17J05639, 16K05771] Funding Source: KAKEN
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.
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