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The multiconfigurational ground state of a diradicaloid characterized at the atomic scale

2025/07/30 by Turco, Elia, Tejerina, Lara, Catarina, Gonçalo +5
#Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Mesoscale and Nanoscale Physics (cond-mat.mes-hall) #Strongly Correlated Electrons (cond-mat.str-el)

paper · doi:10.48550/arxiv.2507.22598

Abstract

We report the tip-induced generation and scanning probe characterization of a singlet diradicaloid, consisting of two phenalenyl units connected by an sp-hybridized C4 chain, on an ultrathin insulating NaCl surface. The bond-order contrast along the C4 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.

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