Research on the Noncovalent Interactions in the Carbon-based Nanostructures

Si-yu LI, Tian-yi HE


The noncovalent intermolecular interactions play essential roles in the formation of biological structures and the self-assembly of molecular architectures. The carbon-based nanomaterials, such as graphene nanoribbons, have attracted tremendous attentions as promising semiconducting materials. However, the noncovalent interactions in the carbon-based nanostructures are seldom studied due to the lack of appropriate research objects. Herein, we reported on the formation of polymer arrays of carbon-based materials through the noncovalent interactions and the calculated characteristics of the intermolecular interactions. Through the on-surface synthesis and the technique of scanning tunneling microscopy, we obtained three different types of polymer arrays. The intermolecular interactions prevented the desorption from the Au(111) surface on the precursor molecules and we obtained Perfluorinated phenyl polymer chains in the experiments. After studying the two typical types of noncovalent interactions C–F…H and C-H…O in the prepared polymer arrays by density functional theory calculations, we conclude that the noncovalent interactions in the carbon-based nanostructure are dominated by the electrostatic and polarization interaction. The research on noncovalent interactions is of great significance for understanding the self-assembly of polymers on the two-dimensional surface and designing desired nanostructure to achieve defined functionalities on the larger scale.


Scanning tunneling microscopy, Hydrogen-bond interactions, Graphene nanoribbons, Density functional theory calculations


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