Cyano-Functionalized Triarylamines on Au(111): Competing Intermolecular versus Molecule/Substrate Interactions

    Authors

    S. Gottardi; K. Muller; J. C. Moreno-Lopez; H. Yildirim; U. Meinhardt; M. Kivala; A. Kara;M. Stohr

    Comments

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    Abbreviated Journal Title

    Adv. Mater. Interfaces

    Keywords

    SCANNING-TUNNELING-MICROSCOPY; ORGANIC COORDINATION NETWORKS; DER-WAALS; INTERACTIONS; AUGMENTED-WAVE METHOD; METAL-SURFACES; TRIANGULENE-TYPE; CHARGE-TRANSFER; HYDROGEN-BONDS; MOLECULES; CU(111); Chemistry, Multidisciplinary; Materials Science, Multidisciplinary

    Abstract

    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.

    Journal Title

    Advanced Materials Interfaces

    Volume

    1

    Issue/Number

    1

    Publication Date

    1-1-2014

    Document Type

    Article

    Language

    English

    First Page

    10

    WOS Identifier

    WOS:000348281700008

    ISSN

    2196-7350

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