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A theoretical study of the UV absorption of 4-methylbenzylidene camphor: from the UVB to the UVA region†
Luís Pinto da Silva,Paulo J. O. Ferreira,Margarida S. Miranda,Joaquim C. G. Esteves da Silva
Photochemical & Photobiological Sciences Pub Date : 12/08/2014 00:00:00 , DOI:10.1039/C4PP00392F
Abstract

In this study, a theoretical approach was used to study the UV absorption of the UVB filter, 4-methylbenzylidene camphor. The main objective of this work was to design new UVA filters based on this rather photo-stable compound, so that photo-degradation in this UV region can be avoided without the use of other molecules. This objective was achieved by the simultaneous addition of two appropriate substituents, which led to red-shifts of up to 0.69 eV while maintaining appreciable oscillator strength. Also, useful structure–energy relationships were derived, which allow for the development of more UVA filters based on 4-methylbenzylidene camphor.

Graphical abstract: A theoretical study of the UV absorption of 4-methylbenzylidene camphor: from the UVB to the UVA region
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