Multiconfigurational Ground State of a Diradicaloid Characterized at the Atomic Scale

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High Resolution Image Download MS PowerPoint Slide 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.