Synthesis and characterization of [7]triangulene

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{
  "revision": 3, 
  "id": "1066", 
  "created": "2021-10-26T07:27:26.682641+00:00", 
  "metadata": {
    "doi": "10.24435/materialscloud:av-cy", 
    "status": "published", 
    "title": "Synthesis and characterization of [7]triangulene", 
    "mcid": "2021.173", 
    "license_addendum": null, 
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    "owner": 26, 
    "_oai": {
      "id": "oai:materialscloud.org:1066"
    }, 
    "keywords": [
      "triangulene", 
      "nanographene", 
      "DFT", 
      "MARVEL/DD3", 
      "SNSF", 
      "ERC", 
      "Horizon 2020", 
      "Graphene flagship"
    ], 
    "conceptrecid": "1065", 
    "is_last": true, 
    "references": [
      {
        "type": "Journal reference", 
        "doi": "10.1039/D0NR08181G", 
        "comment": "Manuscript where the results are discussed", 
        "citation": "S. Mishra, K. Xu, K. Eimre, H. Komber, J. Ma, C. A. Pignedoli, R. Fasel, X. Feng and P. Ruffieux, Nanoscale 13, 1624-1628 (2021)."
      }
    ], 
    "publication_date": "Oct 28, 2021, 10:48:39", 
    "license": "Creative Commons Attribution 4.0 International", 
    "id": "1066", 
    "description": "In this record we provide data to support our recent findings related to the fabrication of [7]triangulene. Triangulene and its \u03c0-extended homologues constitute non-Kekul\u00e9 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.", 
    "version": 1, 
    "contributors": [
      {
        "email": "shantanu.mishra@empa.ch", 
        "affiliations": [
          "Empa - Swiss Federal Laboratories for Materials Science and Technology, \u00dcberlandstrasse 129, 8600 D\u00fcbendorf, Switzerland"
        ], 
        "familyname": "Mishra", 
        "givennames": "Shantanu"
      }, 
      {
        "affiliations": [
          "Faculty of Chemistry and Food Chemistry, and Center for Advancing Electronics Dresden, Technical University of Dresden, 01062 Dresden, Germany"
        ], 
        "familyname": "Xu", 
        "givennames": "Kun"
      }, 
      {
        "affiliations": [
          "Empa - Swiss Federal Laboratories for Materials Science and Technology, \u00dcberlandstrasse 129, 8600 D\u00fcbendorf, Switzerland"
        ], 
        "familyname": "Eimre", 
        "givennames": "Kristjan"
      }, 
      {
        "affiliations": [
          "Leibniz-Institut f\u00fcr Polymerforschung Dresden e. V., Hohe Stra\u00dfe 6, 01069 Dresden, Germany"
        ], 
        "familyname": "Hartmut", 
        "givennames": "Komber"
      }, 
      {
        "affiliations": [
          "Faculty of Chemistry and Food Chemistry, and Center for Advancing Electronics Dresden, Technical University of Dresden, 01062 Dresden, Germany"
        ], 
        "familyname": "Ma", 
        "givennames": "Ji"
      }, 
      {
        "affiliations": [
          "Empa - Swiss Federal Laboratories for Materials Science and Technology, \u00dcberlandstrasse 129, 8600 D\u00fcbendorf, Switzerland"
        ], 
        "familyname": "Pignedoli", 
        "givennames": "Carlo A."
      }, 
      {
        "affiliations": [
          "Empa - Swiss Federal Laboratories for Materials Science and Technology, \u00dcberlandstrasse 129, 8600 D\u00fcbendorf, Switzerland", 
          "Department of Chemistry and Biochemistry, University of Bern, 3012, Bern, Switzerland"
        ], 
        "familyname": "Fasel", 
        "givennames": "Roman"
      }, 
      {
        "affiliations": [
          "Faculty of Chemistry and Food Chemistry, and Center for Advancing Electronics Dresden, Technical University of Dresden, 01062 Dresden, Germany"
        ], 
        "familyname": "Feng", 
        "givennames": "Xinliang"
      }, 
      {
        "email": "pascal.ruffieux@empa.ch", 
        "affiliations": [
          "Empa - Swiss Federal Laboratories for Materials Science and Technology, \u00dcberlandstrasse 129, 8600 D\u00fcbendorf, Switzerland"
        ], 
        "familyname": "Ruffieux", 
        "givennames": "Pascal"
      }
    ], 
    "edited_by": 100
  }, 
  "updated": "2021-10-28T08:48:39.067506+00:00"
}