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Unravelling the Open-Shell Character of Peripentacene on Au(111)
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SYSNO ASEP 0537007 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Unravelling the Open-Shell Character of Peripentacene on Au(111) Author(s) Sánchez-Grande, A. (ES)
Urgel, J. I. (ES)
Veis, Libor (UFCH-W) RID, ORCID
Edalatmanesh, Shayan (FZU-D) ORCID
Santos, J. (ES)
Lauwaet, K. (ES)
Mutombo, Pingo (FZU-D) RID, ORCID
Gallego, J. M. (ES)
Brabec, Jiří (UFCH-W) RID, ORCID
Beran, Pavel (UFCH-W) ORCID
Nachtigallová, Dana (UOCHB-X) RID, ORCID
Miranda, R. (ES)
Martín, N. (ES)
Jelínek, Pavel (FZU-D) RID, ORCID
Écija, D. (ES)Source Title Journal of Physical Chemistry Letters. - : American Chemical Society - ISSN 1948-7185
Roč. 12, č. 1 (2021), s. 330-336Number of pages 7 s. Language eng - English Country US - United States Keywords Au(111) ; polycyclic aromatic hydrocarbons ; open-shell character Subject RIV CF - Physical ; Theoretical Chemistry OECD category Physical chemistry Subject RIV - cooperation Institute of Physics - Physical ; Theoretical Chemistry R&D Projects GA18-09914S GA ČR - Czech Science Foundation (CSF) LM2018110 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) GJ18-18940Y GA ČR - Czech Science Foundation (CSF) Method of publishing Limited access Institutional support UFCH-W - RVO:61388955 ; UOCHB-X - RVO:61388963 ; FZU-D - RVO:68378271 UT WOS 000611421900001 EID SCOPUS 85099035615 DOI 10.1021/acs.jpclett.0c02518 Annotation Polycyclic aromatic hydrocarbons (PAHs) are a family of organic compounds comprising two or more fused aromatic rings which feature manifold applications in modern technology. Among these species, those presenting an open-shell magnetic ground state are of particular interest for organic electronic, spintronic, and non-linear optics and energy storage devices. Within PAHs, special attention has been devoted in recent years to the synthesis and study of the acene and fused acene (periacene) families, steered by their decreasing HOMO–LUMO gap with length and predicted open-shell character above some size. However, an experimental fingerprint of such magnetic ground state has remained elusive. Here, we report on the in-depth electronic characterization of isolated peripentacene molecules on a Au(111) surface. Scanning tunnelling spectroscopy, complemented by computational investigations, reveals an antiferromagnetic singlet ground state, characterized by singlet–triplet inelastic excitations with an experimental effective exchange coupling (Jeff) of 40.5 meV. Our results deepen the fundamental understanding of organic compounds with magnetic ground states, featuring perspectives in carbon-based spintronic devices. Workplace J. Heyrovsky Institute of Physical Chemistry Contact Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Year of Publishing 2022 Electronic address http://hdl.handle.net/11104/0314769
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