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Visualization of π-hole in molecules by means of Kelvin probe force microscopy
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SYSNO ASEP 0575231 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Visualization of π-hole in molecules by means of Kelvin probe force microscopy Author(s) Mallada Faes, Benjamin Jose (FZU-D) ORCID, RID
Ondráček, Martin (FZU-D) RID, ORCID
Lamanec, Maximilián (UOCHB-X) ORCID
Gallardo Caparrós, Aurelio Jesús (FZU-D) ORCID
Jimenez-Martin, Alejandro (FZU-D) ORCID
De La Torre Cerdeño, Bruno (FZU-D) ORCID
Hobza, Pavel (UOCHB-X) RID, ORCID
Jelínek, Pavel (FZU-D) RID, ORCIDNumber of authors 8 Article number 4954 Source Title Nature Communications. - : Nature Publishing Group - ISSN 2041-1723
Roč. 14, č. 1 (2023)Number of pages 6 s. Language eng - English Country US - United States Keywords AFM ; KPFM ; π-hole ; noncovalent Subject RIV BM - Solid Matter Physics ; Magnetism OECD category Condensed matter physics (including formerly solid state physics, supercond.) Subject RIV - cooperation Institute of Organic Chemistry and Biochemistry - Nuclear ; Quantum Chemistry R&D Projects GX20-13692X GA ČR - Czech Science Foundation (CSF) LM2023051 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) GX19-27454X GA ČR - Czech Science Foundation (CSF) Research Infrastructure e-INFRA CZ II - 90254 - CESNET, zájmové sdružení právnických osob Method of publishing Open access Institutional support FZU-D - RVO:68378271 ; UOCHB-X - RVO:61388963 UT WOS 001051097300025 EID SCOPUS 85168260772 DOI https://doi.org/10.1038/s41467-023-40593-3 Annotation 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. Workplace Institute of Physics Contact Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Year of Publishing 2024 Electronic address https://hdl.handle.net/11104/0345262
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