Multiconfigurational Ground State of a Diradicaloid Characterized at the Atomic Scale
Year: 2025
Type: article
Abstract: 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.
DOI: 10.1021/jacs.5c13039
Language: English
Subfield: Electrical and Electronic Engineering
Field: Engineering
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $4,500
Funders: Werner Siemens-Stiftung, European Commission, Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung, Universität Zürich, Horizon 2020 Framework Programme, European Research Council, National Center of Competence in Research Materials’ Revolution: Computational Design and Discovery of Novel Materials, H2020 European Research Council, Dr. Helmut Legerlotz-Stiftung
Awards: G1360835818, G144679920, Harnessing p-radical cascades for the bottom-up synthesis of carbon nanostructures, G3345895242, Control of Spin Interactions in Helical Systems, G3482134774, G374369794, Single Molecular Devices by Atomic Manipulation, NCCR MARVEL: Materials’ Revolution: Computational Design and Discovery of Novel Materials (phase III), On-surface synthesis of carbon-based quantum spin systems (SYNC), Bottom-up design and exploration of p-electron quantum magnetism, G714594183, G7984235579, Bottom-Up generation of atomicalLy precise syntheTIc 2D MATerials for high performance in energy and Electronic applications – A multi-site innovative training action
OpenAlex ID: W4415307444