Chiral and Catalytic Effects of Site-Specific Molecular Adsorption



Borca, Bogdana, Michnowicz, Tomasz, Aguilar-Galindo, Fernando, Petuya, Remi ORCID: 0000-0002-3118-6966, Pristl, Marcel, Schendel, Verena, Pentegov, Ivan, Kraft, Ulrike, Klauk, Hagen, Wahl, Peter
et al (show 2 more authors) (2023) Chiral and Catalytic Effects of Site-Specific Molecular Adsorption. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 14 (8). pp. 2072-2077.

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Abstract

The changes of properties and preferential interactions based on subtle energetic differences are important characteristics of organic molecules, particularly for their functionalities in biological systems. Only slightly energetically favored interactions are important for the molecular adsorption and bonding to surfaces, which define their properties for further technological applications. Here, prochiral tetracenothiophene molecules are adsorbed on the Cu(111) surface. The chiral adsorption configurations are determined by Scanning Tunneling Microscopy studies and confirmed by first-principles calculations. Remarkably, the selection of the adsorption sites by chemically different moieties of the molecules is dictated by the arrangement of the atoms in the first and second surface layers. Furthermore, we have investigated the thermal effects on the direct desulfurization reaction that occurs under the catalytic activity of the Cu substrate. This reaction leads to a product that is covalently bound to the surface in chiral configurations.

Item Type: Article
Divisions: Faculty of Science and Engineering > School of Physical Sciences
Depositing User: Symplectic Admin
Date Deposited: 02 May 2023 10:55
Last Modified: 02 May 2023 10:55
DOI: 10.1021/acs.jpclett.2c03575
Open Access URL: https://doi.org/10.1021/acs.jpclett.2c03575
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URI: https://livrepository.liverpool.ac.uk/id/eprint/3170080