期刊
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
卷 57, 期 31, 页码 9697-9701出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201804276
关键词
acenes; diradicaloids; peri-acene; polycyclic aromatic hydrocarbons; zigzag edge
资金
- Tier 3 programme [MOE2014-T3-1-004]
Peri-acenes are good model compounds for zigzag graphene nanoribbons, but their synthesis is extremely challenging owing to their intrinsic open-shell diradical character. Now, the successful synthesis and isolation of a stable peri-tetracene derivative PT-2ClPh is reported; four 2,6-dichlorophenyl groups are attached onto the most reactive sites along the zigzag edges. The structure was confirmed by X-ray crystallographic analysis and its electronic properties were systematically investigated by both experiments and theoretical calculations. It exhibits an open-shell singlet ground state with a moderate diradical character (y(0)=51.5% by calculation) and a small singlet-triplet gap (ES-T=-2.5kcalmol(-1) by SQUID measurement). It displays global aromatic character, which is different from the smaller-size bisanthene analogue BA-CF3.
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