Nanopatterns of molecular spoked wheels as giant homologues of benzene tricarboxylic acids
Tristan J. Keller, Christopher Sterzenbach, Joshua Bahr, Taria L. Schneiders, Markus Bursch, Julia Kohn, Theresa Eder, John M. Lupton, Stefan Grimme, Sigurd Höger, Stefan‐S. Jester
Abstract
-symmetric isomers partially allow for pairing of the carboxylic acids, which therefore act as a probe for the reduced alkoxy chain nanopattern stabilization. This observation also reflects the adsorbate substrate symmetry mismatch, which leads to an increase of nanopattern complexity and unexpected templating of alkoxy side chains along the graphite armchair directions. State-of-the-art GFN-FF calculations confirm the overall structure of this packing and attribute the unusual side-chain orientation to a steric constraint in a confined environment. These calculations go far beyond conventional simple space-filling models and are therefore particularly suitable for this special case of molecular packing.