ArticleACS physical chemistry Au2025
Relaxation Dynamics in Dihydroxychalcones: Insights from Ultrafast Spectroscopy and Quantum Computations.
Article in ACS physical chemistry Au, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Chalcones present a potentially promising form of natural photoprotection for inclusion in sunscreen formulations. Here, using femtosecond transient electronic absorption spectroscopy and high-level quantum computations, we explore the differing photophysics of two members of the chalcone family: 4,4'-dihydroxychalcone and 4,4'-dihydroxychalcone-α-methoxylate. From experiment, trapped excited-state population in 4,4'-dihydroxychalcone is alleviated by functionalization at the α carbon, affording vast acceleration in nonradiative deactivation. From theory, the ultrashort excited-state lifetime of the α-substituted analog is explained by a barrierless S
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