Experimental and theoretical insights into the enhanced intramolecular charge transfer fluorescence of a 3(2H)-furanone based d-π-A compounds tailored with dialkyl chains

Al-Harrasi, Yousif; Al-Hadhrami, Sariya A.; Varghese, Babu; Busafi, Saleh N. Al; Suliman, Fakhr Eldin O.; Kindy, Salma M. Al

doi:10.1016/j.molstruc.2021.130500

Cited by 2 publications

(2 citation statements)

References 41 publications

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“…The dominant character of the transitions was assigned according to the relocations of the FMOs ( Figure 4 and Figure S2 ), in which each excited state is characterized by either intramolecular charge transfer (ICT), π–π* local excitation (LE) or hybridized local excitation– CT (HLCT) state. HLCT state occurs when a localized excitation is present close to the CT excitation [ 65 ].…”

Section: Resultsmentioning

confidence: 99%

Synthesis and Computational Characterization of Organic UV-Dyes for Cosensitization of Transparent Dye-Sensitized Solar Cells

et al. 2021

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The fabrication of colorless and see-through dye-sensitized solar cells (DSCs) requires the photosensitizers to have little or no absorption in the visible light region of the solar spectrum. However, a trade-off between transparency and power conversion efficiency (PCE) has to be tackled, since most transparent DSCs are showing low PCE when compared to colorful and opaque DSCs. One strategy to increase PCE is applying two cosensitizers with selective conversion of the UV and NIR radiation, therefore, the non-visible part only is absorbed. In this study, we report synthesis of novel five UV-selective absorbers, based on diimide and Schiff bases incorporating carboxyl and pyridyl anchoring groups. A systematic computational investigation using density functional theory (DFT) and time-dependent DFT approaches was employed to evaluate their prospect of application in transparent DSCs. Experimental UV/Vis absorption spectra showed that all dyes exhibit an absorption band covering the mid/near-UV region of solar spectrum, with a bathochromic shift and a hyperchromic shifts for Py-1 dye. Computational results showed that the studied dyes satisfied the basic photophysical and energetics requirements of operating DSC as well as the stability and thermodynamical spontaneity of adsorption onto surface of TiO2. However, results revealed outperformance of the thienothiophene core-containing Py-1 UV-dye, owing to its advantageous structural attributes, improved conjugation, intense emission, large Stokes shift and maximum charge transferred to the anchor. Chemical compatibility of Py-1 dye was then theoretically investigated as a potential cosensitizer of a reference VG20-C2 NIR-dye. By the judicious selection of pyridyl anchor-based UV-absorber (Py-1) and carboxyl anchor-based NIR-absorber (VG20), the advantage of the optical complementarity and selectivity of different TiO2-adsorption-site (Lewis- and Bronsted-acidic) can be achieved. An improved overall PCE is estimated accordingly.

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Section: Resultsmentioning

confidence: 99%

Synthesis and Computational Characterization of Organic UV-Dyes for Cosensitization of Transparent Dye-Sensitized Solar Cells

et al. 2021

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“…Some of these probes, such as dye3 ( P79 ), exhibited dramatic sensitivity to polarity, changing from 433 nm in hexane to 632 nm in methanol, but it has not been applied in the chemical biology field yet. Herein, they are also displayed in Figure and Figure for reference, and one may repurpose them for diverse biological applications. − …”

Section: Fluorescent Probes For Polarity Detectionmentioning

confidence: 99%

Design and Application of Fluorescent Probes to Detect Cellular Physical Microenvironments

Ma,

Sun,

Xia

et al. 2024

Chem. Rev.

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The microenvironment is indispensable for functionality of various biomacromolecules, subcellular compartments, living cells, and organisms. In particular, physical properties within the biological microenvironment could exert profound effects on both the cellular physiology and pathology, with parameters including the polarity, viscosity, pH, and other relevant factors. There is a significant demand to directly visualize and quantitatively measure the fluctuation in the cellular microenvironment with spatiotemporal resolution. To satisfy this need, analytical methods based on fluorescence probes offer great opportunities due to the facile, sensitive, and dynamic detection that these molecules could enable in varying biological settings from in vitro samples to live animal models. Herein, we focus on various types of small molecule fluorescent probes for the detection and measurement of physical parameters of the microenvironment, including pH, polarity, viscosity, mechanical force, temperature, and electron potential. For each parameter, we primarily describe the chemical mechanisms underlying how physical properties are correlated with changes of various fluorescent signals. This review provides both an overview and a perspective for the development of small molecule fluorescent probes to visualize the dynamic changes in the cellular environment, to expand the knowledge for biological process, and to enrich diagnostic tools for human diseases.

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Experimental and theoretical insights into the enhanced intramolecular charge transfer fluorescence of a 3(2H)-furanone based d-π-A compounds tailored with dialkyl chains

Cited by 2 publications

References 41 publications

Synthesis and Computational Characterization of Organic UV-Dyes for Cosensitization of Transparent Dye-Sensitized Solar Cells

Synthesis and Computational Characterization of Organic UV-Dyes for Cosensitization of Transparent Dye-Sensitized Solar Cells

Design and Application of Fluorescent Probes to Detect Cellular Physical Microenvironments

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