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- W4312001639 abstract "N-heterotriangulenes (N-HTAs) are promising organic semiconductors for applications in field effect transistors and solar cells. Thereby the electronic structure of organic/metal interfaces and thin films is essential for the performance of organic-molecule-based devices. Here, we studied the structural and the electronic properties of two different N-HTAs, N-HTA 550 and N-HTA 557, the latter containing an additional 7-membered ring, adsorbed on Au(111) using vibrational and electronic high-resolution electron energy loss spectroscopy in combination with state-of-the-art quantum chemical calculations. In the mono- and multilayer, both N-HTAs adopt a planar adsorption geometry with the molecular backbone oriented parallel to the gold substrate. The energies of the lowest excited electronic singlet states (S) are assigned. The optical gap (S0 → S1 transition) is found to be 3.4 eV for N-HTA 550 and 2.5 eV for N-HTA 557. Thus, the introduction of the −C═C– double bond in N-HTA 557 resulted in a pronounced decrease of the optical gap size by 0.9 eV due to the larger π-conjugated electron system compared to N-HTA 550. Structural variations or substitution patterns in N-HTAs foster the opportunity for tailoring their electronic properties." @default.
- W4312001639 created "2023-01-03" @default.
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- W4312001639 date "2022-12-20" @default.
- W4312001639 modified "2023-10-14" @default.
- W4312001639 title "Impact of Connectivity on the Electronic Structure of <i>N</i>-Heterotriangulenes" @default.
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- W4312001639 doi "https://doi.org/10.1021/acs.jpcc.2c05737" @default.
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