Chiral and Catalytic Effects of Site-Specific Molecular Adsorption

authored by: Bogdana Borca, Tomasz Michnowicz, Fernando Aguilar-Galindo, Rémi Pétuya, Marcel Pristl, Verena Schendel, Ivan Pentegov, Ulrike Kraft, Hagen Klauk, Peter Wahl, Andrés Arnau, Uta Schlickum
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.
External Organisation(s): Max Planck Institute for Solid State Research (MPI-FKF)
Institut de Physique des Materiaux, Bucarest-Magurele
Donostia International Physics Center (DIPC)
Max Planck Institute for Polymer Research
University of St. Andrews
Centro Mixto CSIC-UPV/EHU
Technische Universität Braunschweig
Type: Article
Journal: Journal of Physical Chemistry Letters
Volume: 14
Pages: 2072-2077
No. of pages: 6
ISSN: 1948-7185
Publication date: 02.03.2023
Publication status: Published
Peer reviewed: Yes
ASJC Scopus subject areas: Materials Science(all), Physical and Theoretical Chemistry
Electronic version(s): https://doi.org/10.1021/acs.jpclett.2c03575 (Access: Open)

BibTeX

@article{3587cc2b37b34abe9f4317c45e2b61a6,
title = "Chiral and Catalytic Effects of Site-Specific Molecular Adsorption",
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.",
author = "Bogdana Borca and Tomasz Michnowicz and Fernando Aguilar-Galindo and R{\'e}mi P{\'e}tuya and Marcel Pristl and Verena Schendel and Ivan Pentegov and Ulrike Kraft and Hagen Klauk and Peter Wahl and Andr{\'e}s Arnau and Uta Schlickum",
note = "Funding information: The authors acknowledge the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germany{\textquoteright}s Excellence Strategy-EXC-2123 Quantum Frontiers - 390837967; Core program PC2-PN23080202 and the PN-III-P2-2.1-PED-2021-0378 (contract no. 575PED/2022) granted projects, financed by the Romanian Ministry of Research, Innovation and Digitalization/UEFISCDI; and the generous allocation of computer time at the computing center of Donostia International Physics Center and at the Red Espa{\~n}ola de Supercomputaci{\'o}n (project QHS-2021-2-0019). A.A. acknowledges support from Project No. PID2019-103910GB-I00, funded by MCIN/AEI/10.13039/501100011033/ and FEDER Una manera de hacer Europa, and Project No. IT-1527-22 funded by the Basque Government. Open access funded by Max Planck Society. ",
year = "2023",
month = mar,
day = "2",
doi = "10.1021/acs.jpclett.2c03575",
language = "English",
volume = "14",
pages = "2072--2077",
journal = "Journal of Physical Chemistry Letters",
issn = "1948-7185",
publisher = "American Chemical Society",
number = "8",
}