0619180 - FZÚ 2026 RIV DE eng J - Journal Article
Pérez-Elvira, E. - Lozano Lozano, Marco Aurelio - Huang, Q. - Ma, J. - Gallardo, A. - Barragán, A. - Lauwaet, K. - Gallego, J. M. - Miranda, R. - Jelínek, Pavel - Écija, D. - Soler Polo, Diego Manuel - Feng, X.L. - Urgel, J. I.
Reactivity and Magnetic Coupling of Triangulene Dimers Linked via para-Biphenyl Units.
Angewandte Chemie - International Edition. Roč. 64, č. 17 (2025), č. článku e202501874. ISSN 1433-7851. E-ISSN 1521-3773
R&D Projects: GA MŠMT(CZ) EH22_008/0004594; GA MŠMT LM2018110
Grant - others:AV ČR(CZ) AP1601
Program: Akademická prémie - Praemium Academiae
Institutional support: RVO:68378271
Keywords : π-electron magnetism * surface chemistry * triangulenes * scanning tunneling microscopy * open-shell character
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 16.1, year: 2023 ; AIS: 3.764, rok: 2023
Method of publishing: Open access
DOI: https://doi.org/10.1002/anie.202501874

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.
Permanent Link: https://hdl.handle.net/11104/0365949
 
Scientific data in ASEP :
Triangulene Dimers Linked via para-Biphenyl Units