On-Surface Synthesis of Dibenzohexacenohexacene and Dibenzopentaphenoheptaphene Article Swipe

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Zigzag Chemistry HOMO/LUMO Density functional theory Parallelogram Band gap Crystallography Atomic force microscopy Surface (topology) Nanotechnology Gas phase Chemical physics Computational chemistry Molecular physics Condensed matter physics Molecule Physical chemistry Geometry Physics Materials science Organic chemistry Classical mechanics Mathematics Hinge

Xiushang Xu , Amogh Kinikar , Marco Di Giovannantonio , Pascal Ruffieux , Kläus Müllen , Román Fasel , Akimitsu Narita ·

YOU? · · 2021 · Open Access · · DOI: https://doi.org/10.1246/bcsj.20200382 · OA: W3120600764

We report the on-surface synthesis and gas-phase theoretical studies of two novel nanographenes, namely, dibenzohexacenohexacene and dibenzopentaphenoheptaphene, using 8,8′-dibromo-5,5′-bibenzo[rst]pentaphene as a precursor. These nanographenes display a combination of armchair and zigzag edges, as shown by noncontact atomic force microscopy (nc-AFM), and their electronic properties are elucidated by density functional theory (DFT) calculations which reveal relatively low HOMO-LUMO energy gaps of about 1.75 eV.