Publication: Multiconfigurational Ground State of a Diradicaloid Characterized at the Atomic Scale
Multiconfigurational Ground State of a Diradicaloid Characterized at the Atomic Scale
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Turco, E., Tejerina, L., Catarina, G., Ortega Guerrero, A. A., Krane, N., Gross, L., Juríček, M., & Mishra, S. (2025). Multiconfigurational Ground State of a Diradicaloid Characterized at the Atomic Scale. Journal of the American Chemical Society, 147(43), 39616–39622. https://doi.org/10.1021/jacs.5c13039
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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 chain on an ultrathin insulating NaCl surface. The bond-order contrast along the C 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
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Turco, E., Tejerina, L., Catarina, G., Ortega Guerrero, A. A., Krane, N., Gross, L., Juríček, M., & Mishra, S. (2025). Multiconfigurational Ground State of a Diradicaloid Characterized at the Atomic Scale. Journal of the American Chemical Society, 147(43), 39616–39622. https://doi.org/10.1021/jacs.5c13039
