Tuning the Planarity of an Aromatic Thianthrene-Based Molecule on Au(111) (2409.05489v1)

Abstract: Non-planar aromatic molecules are interesting systems for organic electronics and optoelectronics applications due to their high stability and electronic properties. By using scanning tunneling microscopy and spectroscopy, we investigated thianthrene-based molecules adsorbed on Au(111), which are non-planar in the gas phase and the bulk solid state. Varying the molecular coverage leads to the formation of two different kinds of self-assembled structures: close-packed islands and quasi one-dimensional chains. We found that the molecules are non-planar within the close-packed islands, while the configuration is planar in the molecular chain and for single adsorbed molecules. Using vertical tip manipulation to isolate a molecule from the island, we demonstrate the conversion of a non-planar molecule to its planar configuration. We discuss the two different geometries and their electronic properties with the support of density functional theory calculations.