New Generation UV-A Filters: Understanding Their Photodynamics on a Human Skin Mimic

The sparsity of efficient commercial ultraviolet-A (UV-A) filters is a major challenge toward developing effective broadband sunscreens with minimal human- and eco-toxicity. To combat this, we have designed a new class of Meldrum-based phenolic UV-A filters. We explore the ultrafast photodynamics of coumaryl Meldrum, CMe, and sinapyl Meldrum (SMe), both in an industry-standard emollient and on a synthetic skin mimic, using femtosecond transient electronic and vibrational absorption spectroscopies and computational simulations. Upon photoexcitation to the lowest excited singlet state (S-1), these Meldrum-based phenolics undergo fast and efficient nonradiative decay to repopulate the electronic ground state (S-0). We propose an initial ultrafast twisted intramolecular charge-transfer mechanism as these systems evolve out of the Franck-Condon region toward an S-1/S-0 conical intersection, followed by internal conversion to S o and subsequent vibrational cooling. Importantly, we correlate these findings to their long-term photostability upon irradiation with a solar simulator and conclude that these molecules surpass the basic requirements of an industry-standard UV filter.

Automated summary

The study introduces a new class of Meldrum-based phenolic UV-A filters and investigates their ultrafast photodynamics using spectroscopic analysis and computational simulations, demonstrating their long-term photostability and surpassing the basic requirements of an industry-standard UV filter.