| Autor: |
El Haimeur, Amine, Levkov, Igor V., Yegorova, Tetyana V., Kysil, Andrii I., Shilin, Sergey V., Konovalova, Irina S., Shishkina, Svitlana V., Bakkali, Hicham, Blanco, Eduardo, Voitenko, Zoia V. |
| Předmět: |
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| Zdroj: |
Molecular Crystals & Liquid Crystals; 2021, Vol. 718 Issue 1, p16-24, 9p |
| Abstrakt: |
This work is dedicated to the study of structural, morphological, and optical properties of stable isoindole derivative, which keeps o-quinoid structure. Corresponding properties were studied using X-ray diffraction, SEM, and UV-Vis methods. The geometry of the target molecule was optimized using the M06-2x/cc-pVTZ method. Theoretical UV-Vis spectra were calculated using two methods: CAM-B3LYP/cc-pVTZ and W97X/cc-VTZ + PCM (CH3CN), and the obtained results sufficiently correlate with the experimental data. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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