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Reactivity and Magnetic Coupling of Triangulene Dimers Linked via .i.para./i.-Biphenyl Units
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SYSNO ASEP 0619180 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Reactivity and Magnetic Coupling of Triangulene Dimers Linked via para-Biphenyl Units Author(s) Pérez-Elvira, E. (ES)
Lozano Lozano, Marco Aurelio (FZU-D) RID
Huang, Q. (DE)
Ma, J. (CN)
Gallardo, A. (ES)
Barragán, A. (ES)
Lauwaet, K. (ES)
Gallego, J. M. (ES)
Miranda, R. (ES)
Jelínek, Pavel (FZU-D) RID, ORCID
Écija, D. (ES)
Soler Polo, Diego Manuel (FZU-D)
Feng, X.L. (DE)
Urgel, J. I. (ES)Number of authors 14 Article number e202501874 Source Title Angewandte Chemie - International Edition. - : Wiley - ISSN 1433-7851
Roč. 64, č. 17 (2025)Number of pages 6 s. Language eng - English Country DE - Germany Keywords π-electron magnetism ; surface chemistry ; triangulenes ; scanning tunneling microscopy ; open-shell character Subject RIV BM - Solid Matter Physics ; Magnetism OECD category Condensed matter physics (including formerly solid state physics, supercond.) R&D Projects EH22_008/0004594 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) LM2018110 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) Method of publishing Open access Institutional support FZU-D - RVO:68378271 UT WOS 001433752100001 EID SCOPUS 85218782196 DOI https://doi.org/10.1002/anie.202501874 Annotation Triangulene and its homologues are promising building blocks for high-spin low-dimensional networks with long-range magnetic order. Despite the recent progress in the synthesis and characterization of coupled triangulenes, key parameters such as the number of organic linking units or their dihedral angles remain scarce, making further studies crucial for an essential understanding of their implications. Here, we investigate the synthesis and reactivity of two triangulene dimers linked by two (Dimer 1) or one (Dimer 2) para-biphenyl units, respectively, on a metal surface in an ultra-high vacuum environment. First-principles calculations and model Hamiltonians reveal how spin excitation and radical character depend on the rotation of the para-biphenyl units. Comprehensive scanning tunneling microscopy (STM) in combination with density functional theory (DFT) calculations confirm the successful formation of Dimer 1 on Au(111). Non-contact atomic force microscopy (nc-AFM) measurements resolve the twisted conformation of the linking para-biphenyl units for Dimer 1. On the contrary, the inherent flexibility of Dimer 2 induces the planarization of the para-biphenyl, resulting in the spontaneous formation of two additional five-membered rings per dimer connected by a single C-C bond (Dimers 2'). Furthermore, scanning tunneling spectroscopy (STS) measurements confirm the antiferromagnetic (S=0) coupling of the observed dimers, underscoring the critical influence of dihedral angles and structural flexibility of the linking units in pi-electron magnetic nanostructures. Workplace Institute of Physics Contact Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Year of Publishing 2026 Electronic address https://hdl.handle.net/11104/0365949
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