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Article: Fivefold Symmetry and 2D Crystallization: Self-Assembly of the Buckybowl Pentaindenocorannulene on a Cu(100) Surface

TitleFivefold Symmetry and 2D Crystallization: Self-Assembly of the Buckybowl Pentaindenocorannulene on a Cu(100) Surface
Authors
Keywords2D self-assembly
density functional theory
fullerenes
metal surfaces
scanning tunneling microscopy
Issue Date2019
Citation
Chemistry - A European Journal, 2019, v. 25, n. 49, p. 11555-11559 How to Cite?
AbstractThe modification of metal electrode surfaces with functional organic molecules is an important part of organic electronics. The interaction of the buckminsterfullerene fragment molecule pentaindenocorannulene with a Cu(100) surface is studied by scanning tunneling microscopy, dispersion-enabled density functional theory, and force field calculations. Experimental and theoretical methods suggest that two adjacent indeno groups become oriented parallel to the surface upon adsorption under mild distortion of the molecular frame. The binding mechanism between molecule and surface is dominated by strong electrostatic interaction owing to Pauli repulsion. Two-dimensional aggregation at room temperature leads to a single lattice structure in which all molecules are oriented unidirectionally. Their relative arrangement in the lattice suggests noncovalent intermolecular interaction through C−H⋅⋅⋅π bonding.
Persistent Identifierhttp://hdl.handle.net/10722/341490
ISSN
2023 Impact Factor: 3.9
2023 SCImago Journal Rankings: 1.058
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorMairena, Anaïs-
dc.contributor.authorZoppi, Laura-
dc.contributor.authorLampart, Samuel-
dc.contributor.authorBaldridge, Kim K.-
dc.contributor.authorSiegel, Jay S.-
dc.contributor.authorErnst, Karl Heinz-
dc.date.accessioned2024-03-13T08:43:12Z-
dc.date.available2024-03-13T08:43:12Z-
dc.date.issued2019-
dc.identifier.citationChemistry - A European Journal, 2019, v. 25, n. 49, p. 11555-11559-
dc.identifier.issn0947-6539-
dc.identifier.urihttp://hdl.handle.net/10722/341490-
dc.description.abstractThe modification of metal electrode surfaces with functional organic molecules is an important part of organic electronics. The interaction of the buckminsterfullerene fragment molecule pentaindenocorannulene with a Cu(100) surface is studied by scanning tunneling microscopy, dispersion-enabled density functional theory, and force field calculations. Experimental and theoretical methods suggest that two adjacent indeno groups become oriented parallel to the surface upon adsorption under mild distortion of the molecular frame. The binding mechanism between molecule and surface is dominated by strong electrostatic interaction owing to Pauli repulsion. Two-dimensional aggregation at room temperature leads to a single lattice structure in which all molecules are oriented unidirectionally. Their relative arrangement in the lattice suggests noncovalent intermolecular interaction through C−H⋅⋅⋅π bonding.-
dc.languageeng-
dc.relation.ispartofChemistry - A European Journal-
dc.subject2D self-assembly-
dc.subjectdensity functional theory-
dc.subjectfullerenes-
dc.subjectmetal surfaces-
dc.subjectscanning tunneling microscopy-
dc.titleFivefold Symmetry and 2D Crystallization: Self-Assembly of the Buckybowl Pentaindenocorannulene on a Cu(100) Surface-
dc.typeArticle-
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1002/chem.201902504-
dc.identifier.pmid31291023-
dc.identifier.scopuseid_2-s2.0-85070720822-
dc.identifier.volume25-
dc.identifier.issue49-
dc.identifier.spage11555-
dc.identifier.epage11559-
dc.identifier.eissn1521-3765-
dc.identifier.isiWOS:000481077300001-

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