Beilstein J. Org. Chem.2022,18, 963–971, doi:10.3762/bjoc.18.96
, a strong photoluminescence was observed for DBC-H and DBC-Si.
Keywords: DFT calculation; dibenzo[g,p]chrysenes; fluorescent compounds; oxidation; polycyclic aromatic hydrocarbon (PAH); twistedacenes; Introduction
Polycyclic aromatic hydrocarbons (PAHs) have attracted interest as potential
. Conversely, the LUMO level of the highly twisted DBC-H(56°)-2 was 0.05 eV lower than the less twisted DBC-H. As a result, the HOMO–LUMO gap of DBC-H(56°)-2 becomes smaller than that of DBC-H. This is consistent with the trend reported for twistedacenes [57]. The conformational effect of the MeO group was
electronic and optoelectronic materials [1][2][3][4][5][6][7][8][9][10][11][12]. Non-planar PAHs have been extensively investigated from the viewpoint of their synthetic challenge and/or for the development of functional organic materials [13][14][15][16][17][18][19][20][21][22]. Among such PAHs, twisted
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Graphical Abstract
Figure 1:
a) DBC. b) Dependence of Eox1 on the position of the MeO groups [43]. c) Previous work [52]. d) This work.