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Molecular Packing and Solid-state Fluorescence of Conjugated Compounds of Carbazole-acrylonitrile Derivatives
摘要： In this review paper, have been investigated three novel crystal structures of three molecules with carbazole substituents as the electron-donor group. These molecules, 2-(phenyl)-3-(N-ethyl-(3'-carbazolyl))acrylonitrile (I), 2-(3''-pyridyl)-3-(N-ethyl-(3'-carbazolyl))acrylonitrile (II), and 2-(4-pyridyl)-3-(N-ethyl-(3′-carbazolyl))acrylonitrile (III) in their structure, possess the electron-donor carbazole moiety, a -CN group attached to the double bond, and a phenyl or a pyridine function at the meta- or para-position. It was revealed with the help of single crystal diffraction X-ray analysis that there exists no difference in the crystal system, because all the compounds were crystallized in monoclinic system with space group P21/c. For determining the effect of the position of the nitrogen atom substitution on the crystal properties, has been analyzed and contrasted the molecular packing in a single crystal with that of other previously reported carbazole derivatives. The double bond bearing N-ethylcarbazole,–CN, phenyl or pyridine groups was observed to impart sufficient polarity in order to show slipped π-stacking aggregation in the solid state, affecting the compounds in the solid state and consequently affecting their fluorescence properties. The substitution at the para position was reported to exhibit more multiple C-H...π interactions as well as an interesting and unexpected short contact distance between adjacent N...N molecules those brought a conformational change resulting in an edge-to-face alignment in the molecules and affecting the best relative photoluminescence efficiency of the sample.
关键词： crystal structures,aggregation,cyano-substituted,Acrylonitrile derivatives,N-carbazole-acrylonitriles photophysical properties,TD-DFT calculations,pyridine derivatives
更新于2025-09-11 14:12:44
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Exploration of highly efficient blue-violet light conversion agents for agricultural film based on structure optimization of TPA
摘要： To obtain highly efficient blue-violet light conversion agents used for agricultural film, six triarylacrylonitrile derivatives and their doping films were prepared. Further, the luminogens have the ability to convert UV light into blue-violet light, and exhibit aggregation dependent fluorescence emission and high-contrast fluorescence quantum yields from 0.004 to 0.833. Based on X-ray single crystal diffraction analysis and aggregation-induced emission activity tests, the variant fluorescence quantum yields are attributed to intermolecular π-π stacking and phase transition between crystalline state and amorphous state. In simulated greenhouse environment, the luminogens exhibit excellent photostability. However, their fluorescence intensity drop to 17%-40% of prime intensity after outdoor radiation for one month due to the ring-closing oxidation reaction (In summer). By comprehensively considering the above photophysical properties and mechanical properties of the doping film, Ph4TPA is a potential light conversion agent for agricultural film in winter. More importantly, the results indicate the properties of the light conversion films are expected to be further improved by molecular design inhibiting the ring-closing oxidation reaction and dispersion of crystalline nanoparticles in the doping film.
关键词： Light conversion film,Light conversion agents,Fluorescence,Photosynthesis,Acrylonitrile derivatives
更新于2025-09-09 09:28:46