The role of main group elements in shaping the properties of linearly-fused heterohexaarenes

Abstract

Embedding main group elements into the π-scaffold of linearly-fused hexaarenes enables fine-tuning of their optoelectronic properties in solution and in the solid state. Phosphorus leads to the best electron-accepting properties and increases fluorescence quantum yield in solution, silicon maximizes emission in the solid-state, whereas nitrogen leads to the smallest bandgap and promotes stronger intermolecular interactions. These findings offer key insights into structure–property relationships driven by main-group elements, establishing new design principles for the development of improved functional organic materials.