Synthesis and characterization of [7]triangulene

DOI

In this record we provide data to support our recent findings related to the fabrication of [7]triangulene. Triangulene and its π-extended homologues constitute non-Kekulé polyradical frameworks with high-spin ground states, and are anticipated to be key components of organic spintronic devices. In our publication we report a combined in-solution and on-surface synthesis of the hitherto largest triangulene homologue, [7]triangulene (C78H24), consisting of twenty-eight benzenoid rings fused in a triangular fashion. We employ low-temperature scanning tunneling microscopy to confirm the chemical structure of individual molecules adsorbed on a Cu(111) surface. While neutral [7]triangulene in the gas phase is predicted to have an open-shell septet ground state; our scanning tunneling spectroscopy measurements, in combination with density functional theory calculations, reveal chemisorption of [7]triangulene on Cu(111) together with considerable charge transfer, resulting in a closed-shell state. Furthermore, substantial hybridization between the molecular orbitals of [7]triangulene is observed.

Identifier
DOI https://doi.org/10.24435/materialscloud:av-cy
Related Identifier https://doi.org/10.1039/D0NR08181G
Related Identifier https://renkulab.io/projects/new?data=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
Related Identifier https://archive.materialscloud.org/communities/mcarchive
Related Identifier https://doi.org/10.24435/materialscloud:1j-9n
Metadata Access https://archive.materialscloud.org/oai2d?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai:materialscloud.org:1066
Provenance
Creator Mishra, Shantanu; Xu, Kun; Eimre, Kristjan; Hartmut, Komber; Ma, Ji; Pignedoli, Carlo A.; Fasel, Roman; Feng, Xinliang; Ruffieux, Pascal
Publisher Materials Cloud
Contributor Mishra, Shantanu; Ruffieux, Pascal
Publication Year 2021
Rights info:eu-repo/semantics/openAccess; Creative Commons Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/legalcode
OpenAccess true
Contact archive(at)materialscloud.org
Representation
Language English
Resource Type info:eu-repo/semantics/other
Format application/gzip; text/markdown; application/octet-stream
Discipline Materials Science and Engineering