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The electronic structure and one- and two-photon absorption spectra of four fluorophores, p-bis(o-methoxystyryl)benzene (Bis-MSB), coumarin 307, fluorescein and rhodamine B, commonly used as reference compounds for two-photon absorption spectra, have been theoretically calculated and compared with available experimental data. The possible reasons for the wide discrepancies in two-photon absorption cross-sections reported in the literature are discussed on the basis of the theoretical findings. The role of a solvent environment on the electronic one- and two-photon absorption spectra is also studied. We highlight some necessary precautions that one needs to take when comparing literature results of two-photon absorption cross-sections.
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http://dx.doi.org/10.1002/cphc.200700397 | DOI Listing |
J Am Chem Soc
September 2025
Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States.
Understanding how molecular aggregation influences nonlinear optical properties is essential for advancing organic fluorophores in imaging, sensing, and photonic applications. However, the relationship between the molecular aggregation and the magnitude of nonlinear two-photon absorption cross-section remains underexplored. Here, we systematically investigate the aggregation-dependent two-photon absorption properties of the fluorophore TPAPhCN by tuning the degree of aggregation.
View Article and Find Full Text PDFJ Org Chem
September 2025
School of Chemical and Biopharmaceutical Sciences, Technological University Dublin, City Campus, Grangegorman, Dublin D07 EWV4, Ireland.
A series of unsymmetrically substituted BODIPY dyes featuring fused benzo- or naphtho-fragments on one pyrrolic unit were synthesized from the corresponding pyrrolic precursors. The synthetic route was optimized using a modular approach based on the condensation of formylpyrroles with alkylpyrroles, enabling the identification of precursor combinations that minimize byproduct formation and improve preparative yields. The resulting benzo- and naphtho-fused BODIPYs display intense fluorescence in the red region, with emission maxima spanning 590-680 nm and fluorescence quantum yields ranging from 0.
View Article and Find Full Text PDFJ Phys Chem Lett
September 2025
Faculty of Chemistry, Wrocław University of Science and Technology, Wyb. Wyspiańskiego 27, PL-50370 Wrocław, Poland.
Computer simulations play an essential role in the interpretation of experimental multiphoton absorption spectra. In addition, models derived from theory allow for the establishment of "structure-property" relationships. This work contributes to these efforts and presents the results of an analysis of two- and three-photon absorptions for a set comprising 450 conjugated molecules performed at the CAM-B3LYP/aug-cc-pVDZ level.
View Article and Find Full Text PDFRegulating the electronic structure by doping can promote photoluminescence emission of low-dimensional metal halides for developing white-light-emitting devices. Here, 0D metal halides RbBiCl have achieved a transition from nonluminescence to effective self-trapped excitons (STEs) emission after Sb ion doping at room temperature. The femtosecond transient absorption spectrum reveals the nonradiative recombination was suppressed, whose lifetimes change from 93.
View Article and Find Full Text PDFInt J Pharm
September 2025
Department of Dermatology, The First Affiliated Hospital of Nanjing Medical University, Guangzhou Road 300, Nanjing, People's Republic of China; Engineering Research Center of Intelligent Theranostics Technology and Instruments, Ministry of Education, People's Republic of China. Electronic address:
Background: Ultrasound-assisted transdermal drug delivery, or sonophoresis, enhances skin permeability, offering a non-invasive alternative for drug administration. However, its clinical application remains limited because of an insufficient understanding of its underlying mechanisms and optimal parameters. This study investigates the factors influencing ultrasound-enhanced drug absorption and examines its biological effects on skin structures and HaCaT cells, providing a comprehensive analysis of its mechanisms.
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