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- W2768034245 abstract "4-Ethoxy-2-(pyridin-2-yl)-5-(3,4,5-trimethoxyphenyl)thiazole (EPTT) was prepared in a four-step synthetic protocol. Column shaped single crystals of EPTT were obtained from a saturated EtOH solution. Both single crystals and a THF solution of EPTT were investigated in terms of their photophysical properties and electronic structure. The crystals showed very intense fluorescence upon photoexcitation as well as a red shifted emission maximum compared to a THF solution of EPTT (single crystals: λem = 523 nm, ΦFL = 0.82, THF solution λem = 477 nm, ΦFL = 0.67). Quantum chemical methods were then employed to unravel the underlying fundamental transitions and explain the experimental results. Calculations for a small dye cluster modeled after the x-ray crystal structure predicted three dark intermolecular CT states, S1-S3, below the intramolecular CT state (S4) for EPTT in the crystalline state. Photoexcitation and subsequent relaxation along the excited states relaxation pathways may populate the low-lying dark intermolecular CT states, which in consequence leads to an exciton moving along the stacked dyes in the crystal. This finding explains the significantly enhanced red-shift of the solid-state fluorescence of EPTT compared to the dissolved dye." @default.
- W2768034245 created "2017-11-17" @default.
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- W2768034245 date "2018-02-01" @default.
- W2768034245 modified "2023-10-14" @default.
- W2768034245 title "Highly fluorescent single crystals of a 4-ethoxy-1,3-thiazole" @default.
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- W2768034245 doi "https://doi.org/10.1016/j.dyepig.2017.11.016" @default.
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