The multiconfigurational ground state of a diradicaloid characterized at the atomic scale
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arXiv
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| Format: | Preprint |
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2025
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| author | Turco, Elia Tejerina, Lara Catarina, Gonçalo Ortega-Guerrero, Andres Krane, Nils Gross, Leo Juríček, Michal Mishra, Shantanu |
| author_facet | Turco, Elia Tejerina, Lara Catarina, Gonçalo Ortega-Guerrero, Andres Krane, Nils Gross, Leo Juríček, Michal Mishra, Shantanu |
| contents | We report the tip-induced generation and scanning probe characterization of a singlet diradicaloid, consisting of two phenalenyl units connected by an sp-hybridized C$_{4}$ chain, on an ultrathin insulating NaCl surface. The bond-order contrast along the C$_{4}$ chain measured by atomic force microscopy and mapping of charge-state transitions by scanning tunneling microscopy, in conjunction with multiconfigurational calculations, reveal that the molecule exhibits a many-body ground state. Our study experimentally demonstrates the manifestation of strong electronic correlations in the geometric and electronic structures of a single molecule. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2507_22598 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | The multiconfigurational ground state of a diradicaloid characterized at the atomic scale Turco, Elia Tejerina, Lara Catarina, Gonçalo Ortega-Guerrero, Andres Krane, Nils Gross, Leo Juríček, Michal Mishra, Shantanu Mesoscale and Nanoscale Physics Strongly Correlated Electrons Chemical Physics We report the tip-induced generation and scanning probe characterization of a singlet diradicaloid, consisting of two phenalenyl units connected by an sp-hybridized C$_{4}$ chain, on an ultrathin insulating NaCl surface. The bond-order contrast along the C$_{4}$ chain measured by atomic force microscopy and mapping of charge-state transitions by scanning tunneling microscopy, in conjunction with multiconfigurational calculations, reveal that the molecule exhibits a many-body ground state. Our study experimentally demonstrates the manifestation of strong electronic correlations in the geometric and electronic structures of a single molecule. |
| title | The multiconfigurational ground state of a diradicaloid characterized at the atomic scale |
| topic | Mesoscale and Nanoscale Physics Strongly Correlated Electrons Chemical Physics |
| url | https://arxiv.org/abs/2507.22598 |