Modeling Non-Kekulé Molecules With Quantum Corrals

Non-Kekulé molecules are a largely unstudied group of molecules. These are difficult or impossible to synthesize and are challenging to model with conventional computational methods. However, artificial molecules present a unique tool to study molecular properties. Their lack of "real" bonds and the low temperature at which they are constructed makes them highly stable in any configuration they can be assembled. We have used artificial molecules to model and study the molecular properties of such systems. Here CO molecules are adsorbed onto a Cu[111] surface and arranged in quantum corrals to shape the wavefunction of the surface electrons. We present studies of a synthetic molecule that closely reproduces the electronic features of phenalenyl radical as predicted by density functional theory calculations.