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Real-space imaging of anisotropic charge of σ-hole by means of Kelvin probe force microscopy
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SYSNO ASEP 0549125 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Real-space imaging of anisotropic charge of σ-hole by means of Kelvin probe force microscopy Author(s) Mallada Faes, Benjamin Jose (FZU-D) ORCID, RID
Gallardo Caparrós, Aurelio Jesús (FZU-D) ORCID
Lamanec, Maximilián (UOCHB-X) ORCID
De La Torre Cerdeño, Bruno (FZU-D) ORCID
Špirko, Vladimír (UOCHB-X) ORCID
Hobza, Pavel (UOCHB-X) RID, ORCID
Jelínek, Pavel (FZU-D) RID, ORCIDNumber of authors 7 Source Title Science. - : American Association for the Advancement of Science - ISSN 0036-8075
Roč. 374, č. 6569 (2021), s. 863-867Number of pages 6 s. Language eng - English Country US - United States Keywords KPFM ; AFM ; anisotropic atomic charges ; DFT ; van der Walls Subject RIV CF - Physical ; Theoretical Chemistry OECD category Physical chemistry Subject RIV - cooperation Institute of Organic Chemistry and Biochemistry - Inorganic Chemistry R&D Projects LM2018110 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) GX20-13692X GA ČR - Czech Science Foundation (CSF) GX19-27454X GA ČR - Czech Science Foundation (CSF) Method of publishing Limited access Institutional support FZU-D - RVO:68378271 ; UOCHB-X - RVO:61388963 UT WOS 000717915400033 EID SCOPUS 85118987913 DOI 10.1126/science.abk1479 Annotation An anisotropic charge distribution on individual atoms, such as σ-holes, may strongly affect the material and structural properties of systems. However, the spatial resolution of such anisotropic charge distributions on an atom represents a long-standing experimental challenge. In particular, the existence of the σ-hole on halogen atoms has been demonstrated only indirectly through the determination of the crystal structures of organic molecules containing halogens or with theoretical calculations, consequently calling for its direct experimental visualization. We show that Kelvin probe force microscopy with a properly functionalized probe can image the anisotropic charge of the σ-hole and the quadrupolar charge of a carbon monoxide molecule. This opens a new way to characterize biological and chemical systems in which anisotropic atomic charges play a decisive role. Workplace Institute of Physics Contact Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Year of Publishing 2022 Electronic address https://doi.org/10.1126/science.abk1479
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