Meta-Positioning of Carbonitrile Functional Groups Induces Interfacial Edge-On Phase of Oligophenyl Derivatives
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- 作者：Matthias Marschall ; Joachim Reichert ; Katharina Diller ; Svetlana Klyatskaya ; Mario Ruben ; Alexei Nefedov ; Christof W?ll ; Lev N. Kantorovich ; Florian Klappenberger ; Johannes V. Barth
- 刊名：Journal of Physical Chemistry C
- 出版年：2014
- 出版时间：February 6, 2014
- 年：2014
- 卷：118
- 期：5
- 页码：2622-2633
- 全文大小：608K
- ISSN：1932-7455
文摘
We present a combined systematic experimental and theoretical study of the supramolecular organization of a carbonitrile-functionalized oligophenyl on Cu(111) and Ag(111) showing multiple self-assembled structures including a novel edge-on phase at room temperature. We were able to follow the coverage dependent assemblies by means of scanning tunneling microscopy, near-edge X-ray absorption-fine-structure spectroscopy, and X-ray photoelectron spectroscopy and supported the analysis of the experimental results by density functional theory calculations. With increasing coverage the molecular orientation of the building blocks changes from nearly coplanar with the substrate to upright standing. With this reorientation, the stabilizing forces behind the respective bonding motives change from noncovalent molecule鈥搈olecule attraction governed by the polar functional groups to metal鈥搊rganic coordination toward the substrate combined with intermolecular 蟺鈥撓€ interaction.