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

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 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.

arXiv commentMain text: 17 pages and 3 figures. Supporting Information: 36 pages and 21 figures

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