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Multiconfigurational Ground State of a Diradicaloid Characterized at the Atomic Scale

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2025
Journal Article
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dc.date.accessioned2026-01-27T11:39:33Z
dc.date.available2026-01-27T11:39:33Z
dc.date.issued2025-10-17
dc.description.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.

dc.identifier.doi10.1021/jacs.5c13039
dc.identifier.issn0002-7863
dc.identifier.urihttps://www.zora.uzh.ch/handle/20.500.14742/242236
dc.language.isoeng
dc.sourceCrossref:10.1021/jacs.5c13039
dc.subject.ddc540 Chemistry
dc.title

Multiconfigurational Ground State of a Diradicaloid Characterized at the Atomic Scale

dc.typearticle
dcterms.accessRightsinfo:eu-repo/semantics/openAccess
dcterms.bibliographicCitation.journaltitleJournal of the American Chemical Society
dcterms.bibliographicCitation.number43
dcterms.bibliographicCitation.originalpublishernameAmerican Chemical Society
dcterms.bibliographicCitation.pageend39622
dcterms.bibliographicCitation.pagestart39616
dcterms.bibliographicCitation.pmid41107704
dcterms.bibliographicCitation.volume147
dspace.entity.typePublication
uzh.contributor.authorTurco, Elia
uzh.contributor.authorTejerina, Lara
uzh.contributor.authorCatarina, Gonçalo
uzh.contributor.authorOrtega Guerrero, Andres Adolfo
uzh.contributor.authorKrane, Nils
uzh.contributor.authorGross, Leo
uzh.contributor.authorJuríček, Michal
uzh.contributor.authorMishra, Shantanu
uzh.document.availabilitypublished_version
uzh.identifier.doihttps://doi.org/10.5167/uzh-283686
uzh.jdb.eprintsId14208
uzh.oastatus.unpaywallhybrid
uzh.oastatus.zoraHybrid
uzh.publication.citationTurco, 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
uzh.publication.freeAccessAtUNSPECIFIED
uzh.publication.originalworkoriginal
uzh.publication.publishedStatusfinal
uzh.workflow.fulltextStatuspublic
uzh.workflow.rightsCheckkeininfo
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