Topological Engineering of a Frustrated Antiferromagnetic Triradical in Aza-Triangulene Architectures
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| Main Authors: | , , , , , , , , , , , , , , , , |
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| Format: | Preprint |
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2025
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| author | Romero-Lara, Francisco Vilas-Varela, Manuel Ortiz, Ricardo Kumar, Manish Vegliante, Alessio Gómez-Rodrigo, Lucía Calupitan, Jan Patrick Soler, Diego Friedrich, Nikas Wang, Dongfei Ortuzar, Jon Trivini, Stefano Schulz, Fabian Frederiksen, Thomas Jelínek, Pavel Peña, Diego Pascual, Jose Ignacio |
| author_facet | Romero-Lara, Francisco Vilas-Varela, Manuel Ortiz, Ricardo Kumar, Manish Vegliante, Alessio Gómez-Rodrigo, Lucía Calupitan, Jan Patrick Soler, Diego Friedrich, Nikas Wang, Dongfei Ortuzar, Jon Trivini, Stefano Schulz, Fabian Frederiksen, Thomas Jelínek, Pavel Peña, Diego Pascual, Jose Ignacio |
| contents | Open-shell nanographenes provide a versatile platform to host unconventional magnetic states within their π-conjugated networks. Particularly appealing are graphene architectures that incorporate spatially separated radicals and tunable interactions, offering a scalable route toward spin-based quantum architectures. Triangulenes are ideal for this purpose, as their radical count scales with size, although strong hybridization prevents individual spin control. Here, we realize a radical reconfiguration strategy that transforms a single-radical aza-triangulene into a frustrated antiferromagnetic triradical by covalently extending it with armchair anthene moieties of increasing length. Scanning tunnelling spectroscopy reveals edge-localized Kondo resonances and a doublet-to-quartet spin excitation, evidencing the emergence of correlated spins. Multi-reference electronic-structure calculations trace the progressive increase in polyradical character with anthene length, driven by the clustering of frontier states within a narrow energy window. Consequently, the initial single-radical doublet reorganizes into a frustrated triradical with weakly coupled edge spins, a molecular analog of a three-qubit quantum register. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2512_10869 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Topological Engineering of a Frustrated Antiferromagnetic Triradical in Aza-Triangulene Architectures Romero-Lara, Francisco Vilas-Varela, Manuel Ortiz, Ricardo Kumar, Manish Vegliante, Alessio Gómez-Rodrigo, Lucía Calupitan, Jan Patrick Soler, Diego Friedrich, Nikas Wang, Dongfei Ortuzar, Jon Trivini, Stefano Schulz, Fabian Frederiksen, Thomas Jelínek, Pavel Peña, Diego Pascual, Jose Ignacio Mesoscale and Nanoscale Physics Chemical Physics Open-shell nanographenes provide a versatile platform to host unconventional magnetic states within their π-conjugated networks. Particularly appealing are graphene architectures that incorporate spatially separated radicals and tunable interactions, offering a scalable route toward spin-based quantum architectures. Triangulenes are ideal for this purpose, as their radical count scales with size, although strong hybridization prevents individual spin control. Here, we realize a radical reconfiguration strategy that transforms a single-radical aza-triangulene into a frustrated antiferromagnetic triradical by covalently extending it with armchair anthene moieties of increasing length. Scanning tunnelling spectroscopy reveals edge-localized Kondo resonances and a doublet-to-quartet spin excitation, evidencing the emergence of correlated spins. Multi-reference electronic-structure calculations trace the progressive increase in polyradical character with anthene length, driven by the clustering of frontier states within a narrow energy window. Consequently, the initial single-radical doublet reorganizes into a frustrated triradical with weakly coupled edge spins, a molecular analog of a three-qubit quantum register. |
| title | Topological Engineering of a Frustrated Antiferromagnetic Triradical in Aza-Triangulene Architectures |
| topic | Mesoscale and Nanoscale Physics Chemical Physics |
| url | https://arxiv.org/abs/2512.10869 |