<?xml version='1.0' encoding='utf-8'?> <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd"> <dc:creator>Mishra, Shantanu</dc:creator> <dc:creator>Xu, Kun</dc:creator> <dc:creator>Eimre, Kristjan</dc:creator> <dc:creator>Hartmut, Komber</dc:creator> <dc:creator>Ma, Ji</dc:creator> <dc:creator>Pignedoli, Carlo A.</dc:creator> <dc:creator>Fasel, Roman</dc:creator> <dc:creator>Feng, Xinliang</dc:creator> <dc:creator>Ruffieux, Pascal</dc:creator> <dc:date>2021-10-28</dc:date> <dc:description>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.</dc:description> <dc:identifier>https://archive.materialscloud.org/record/2021.173</dc:identifier> <dc:identifier>doi:10.24435/materialscloud:av-cy</dc:identifier> <dc:identifier>mcid:2021.173</dc:identifier> <dc:identifier>oai:materialscloud.org:1066</dc:identifier> <dc:language>en</dc:language> <dc:publisher>Materials Cloud</dc:publisher> <dc:rights>info:eu-repo/semantics/openAccess</dc:rights> <dc:rights>Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights> <dc:subject>triangulene</dc:subject> <dc:subject>nanographene</dc:subject> <dc:subject>DFT</dc:subject> <dc:subject>MARVEL/DD3</dc:subject> <dc:subject>SNSF</dc:subject> <dc:subject>ERC</dc:subject> <dc:subject>Horizon 2020</dc:subject> <dc:subject>Graphene flagship</dc:subject> <dc:title>Synthesis and characterization of [7]triangulene</dc:title> <dc:type>Dataset</dc:type> </oai_dc:dc>