Replication Data for: Dipole-Assisted Nanoporous Networks on Surfaces

The purpose of this data set is to give the reader access to the data used for the study presented in the publication "Dipole-Assisted Nanoporous Networks on Surfaces" (https://doi.org/10.1039/d6ma00099a). In this work, we report on a porous supramolecular network featuring weak, yet directional single-point contacts based on dipole-dipole interactions. The three-fold symmetrical molecular building block 2,2’,2”-((1,3,5-Triazine-2,4,6-triyl)tris(benzene-4,1-diyl))triacetonitrile forms a porous honeycomb network at the alkanoic acid/graphite interface. Molecular-resolution STM images, supported by molecular mechanics and molecular dynamics (MM and MD) simulations, reveal an important contribution of molecule-substrate and molecule-solvent interactions in stabilizing the experimentally observed supramolecular networks, where dipole-dipole interactions between the peripheral nitrile groups play a structure-directing role. A comparison of the self-assembly behavior of a structurally similar building block revealed that the triazine core and its stronger adsorption are crucial for stabilizing the honeycomb porous network. This study demonstrates how subtle variations in molecule-substrate interactions contribute to the different stabilization of the porous networks based on isostructural building blocks. This dataset comprises STM images and processed data, along with the corresponding analysis, used to study the on-surface self-assembly of 2,2′,2″-((1,3,5-triazine-2,4,6-triyl)tris(benzene-4,1-diyl))triacetonitrile on HOPG surface.