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Fivefold Symmetry and 2D Crystallization: Self‐Assembly of the Buckybowl Pentaindenocorannulene on a Cu(100) Surface
Author(s) -
Mairena Anaïs,
Zoppi Laura,
Lampart Samuel,
Baldridge Kim K.,
Siegel Jay S.,
Ernst KarlHeinz
Publication year - 2019
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201902504
Subject(s) - buckminsterfullerene , molecule , scanning tunneling microscope , chemical physics , intermolecular force , density functional theory , crystallography , fullerene , adsorption , materials science , crystallization , lattice (music) , self assembly , non covalent interactions , chemistry , nanotechnology , computational chemistry , physics , hydrogen bond , organic chemistry , acoustics
The 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.