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Cyano‐Functionalized Triarylamines on Au(111): Competing Intermolecular versus Molecule/Substrate Interactions
Author(s) -
Gottardi Stefano,
Müller Kathrin,
MorenoLópez Juan Carlos,
Yildirim Handan,
Meinhardt Ute,
Kivala Milan,
Kara Abdelkader,
Stöhr Meike
Publication year - 2014
Publication title -
advanced materials interfaces
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.671
H-Index - 65
ISSN - 2196-7350
DOI - 10.1002/admi.201300025
Subject(s) - scanning tunneling microscope , intermolecular force , molecule , materials science , hydrogen bond , ligand (biochemistry) , crystallography , substrate (aquarium) , dipole , phase (matter) , density functional theory , metal , chemical physics , nanotechnology , computational chemistry , chemistry , organic chemistry , biochemistry , receptor , oceanography , geology , metallurgy
The self‐assembly of cyano‐substituted triarylamine derivatives on Au(111) is studied with scanning tunneling microscopy and density functional theory calculations. Two different phases, each stabilized by at least two different cyano bonding motifs are observed. In the first phase, each molecule is involved in dipolar coupling and hydrogen bonding, while in the second phase, dipolar coupling, hydrogen bonding and metal‐ligand interactions are present. Interestingly, the metal–ligand bond is already observed for deposition of the molecules with the sample kept at room temperature leaving the herringbone reconstruction unaffected. It is proposed that for establishing this bond, the Au atoms are slightly displaced out of the surface to bind to the cyano ligands. Despite the intact herringbone reconstruction, the Au substrate is found to considerably interact with the cyano ligands affecting the conformation and adsorption geometry, as well as leading to correlation effects on the molecular orientation.