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Visualization of π-hole in molecules by means of Kelvin probe force microscopy

Author

Listed:
  • B. Mallada

    (Academy of Sciences of the Czech Republic
    Palacký University Olomouc
    Palacký University Olomouc)

  • M. Ondráček

    (Academy of Sciences of the Czech Republic)

  • M. Lamanec

    (Palacký University Olomouc
    Czech Academy of Sciences
    VŠB – Technical University of Ostrava)

  • A. Gallardo

    (Academy of Sciences of the Czech Republic)

  • A. Jiménez-Martín

    (Academy of Sciences of the Czech Republic
    Palacký University Olomouc)

  • B. Torre

    (Academy of Sciences of the Czech Republic
    Palacký University Olomouc)

  • P. Hobza

    (Czech Academy of Sciences
    VŠB – Technical University of Ostrava)

  • P. Jelínek

    (Academy of Sciences of the Czech Republic
    Palacký University Olomouc)

Abstract

Submolecular charge distribution significantly affects the physical-chemical properties of molecules and their mutual interaction. One example is the presence of a π-electron-deficient cavity in halogen-substituted polyaromatic hydrocarbon compounds, the so-called π-holes, the existence of which was predicted theoretically, but the direct experimental observation is still missing. Here we present the resolution of the π-hole on a single molecule using the Kelvin probe force microscopy, which supports the theoretical prediction of its existence. In addition, experimental measurements supported by theoretical calculations show the importance of π-holes in the process of adsorption of molecules on solid-state surfaces. This study expands our understanding of the π-hole systems and, at the same time, opens up possibilities for studying the influence of submolecular charge distribution on the chemical properties of molecules and their mutual interaction.

Suggested Citation

  • B. Mallada & M. Ondráček & M. Lamanec & A. Gallardo & A. Jiménez-Martín & B. Torre & P. Hobza & P. Jelínek, 2023. "Visualization of π-hole in molecules by means of Kelvin probe force microscopy," Nature Communications, Nature, vol. 14(1), pages 1-6, December.
    • Handle: RePEc:nat:natcom:v:14:y:2023:i:1:d:10.1038_s41467-023-40593-3
    DOI: 10.1038/s41467-023-40593-3
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    References listed on IDEAS

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    1. Jan Berger & Martin Ondráček & Oleksandr Stetsovych & Pavel Malý & Petr Holý & Jiří Rybáček & Martin Švec & Irena G. Stará & Tomáš Mančal & Ivo Starý & Pavel Jelínek, 2020. "Quantum dissipation driven by electron transfer within a single molecule investigated with atomic force microscopy," Nature Communications, Nature, vol. 11(1), pages 1-10, December.
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