2026-06-02T05:52:53Z https://archive.materialscloud.org/oai2d

oai:materialscloud.org:1066 2021-10-28T10:48:39Z openaire_data community-mcarchive

Mishra, Shantanu Ruffieux, Pascal Mishra, Shantanu Xu, Kun Eimre, Kristjan Hartmut, Komber Ma, Ji Pignedoli, Carlo A. Fasel, Roman Feng, Xinliang Ruffieux, Pascal 2021-10-28 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. application/gzip text/markdown application/octet-stream application/octet-stream https://doi.org/10.24435/materialscloud:av-cy oai:materialscloud.org:1066 mcid:2021.173 eng Materials Cloud https://doi.org/10.1039/D0NR08181G https://renkulab.io/projects/new?data=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 https://archive.materialscloud.org/communities/mcarchive https://doi.org/10.24435/materialscloud:1j-9n info:eu-repo/semantics/openAccess Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode triangulene nanographene DFT MARVEL/DD3 SNSF ERC Horizon 2020 Graphene flagship Synthesis and characterization of [7]triangulene info:eu-repo/semantics/other