The Discovery of an Aromatic Silicon Aluminium Compound Through A Novel Four-Pronged Computational Approach

Traditional experimental methods for the design of molecules are time-consuming and inefficient, prompting a shift towards computational approaches. Here, we unveil a strategy that transcends traditional paradigms. Rooted in first principles and liberated from experimental constraints, our newly developed four-stage approach allows the discovery of new molecules that display interesting properties. The current work showcases an interesting molecule that has been discovered through this approach: a four membered cyclic compound of silicon and aluminium that displays 2π aromaticity, and capable of the activation of important small molecules.