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February 2, 20260 citationsOpen Access

Multiconfigurational Ground State of a Diradicaloid Characterized at the Atomic Scale

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ETElia TurcoLTLara TejerinaGCGonçalo Catarina

Key Points

  • The aim is to characterize a singlet diradicaloid at an atomic scale to understand its ground state properties.
  • Tip-induced generation of the diradicaloid on an NaCl surface
  • Characterization using atomic force microscopy and scanning tunneling microscopy
  • Multiconfigurational calculations to analyze electronic structure
  • Observation of bond-order contrast along the carbon chain
  • Mapping of charge-state transitions demonstrates many-body ground state
  • Strong electronic correlations noted in molecular structure

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 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 strong electronic correlations in the geometric and electronic structures of a single molecule.

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Cite This Study

Turco et al. (2025) studied this question.

synapsesocial.com/papers/6980fd60c1c9540dea80f0e2https://doi.org/10.5167/uzh-283686
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