Revealing Ultrafast Energy Dissipation Pathway of Nanocrystalline Sunscreens Oxybenzone and Dioxybenzone

Two widely used ultraviolet filters, oxybenzone and dioxybenzone, are applied in a variety of areas, particularly in sunscreen cosmetics. Ultrafast femtosecond transient absorption is utilized to trace the excited states and transient states of the nanocrystalline suspension and solution phase of these two molecules. The analysis reveals the intriguing discovery that the transient species of the oxybenzone nanocrystalline suspension have shorter lifetimes than that in solution. The energy dissipation mechanism of these molecules is simulated by density functional theory calculations, and the potential energy surface calculations and the single-crystal structure can well explain the fast decay dynamics of the nanocrystalline transient states of these two molecules.