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Molecular Crystals and Liquid Crystals Volume 718, 2021 - Issue 1: XII International Conference "Electronic Processes in Organic and Inorganic Materials” (ICEPOM-12).
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Research Article

3-[3-(4-chlorophenyl)-2-(4-fluorophenyl)-2H-isoindol-1-yl]-1-phenylpyrrolidine-2,5-dione as a candidate for solar cells applications

Amine El Haimeura Department of Condensed Matter Physics and IMEYMAT: Institute of Research on Electron Microscopy and Materials, University of Cadiz, Cádiz, Spain;b Department of Organic Chemistry, Faculty of Chemistry, Taras Shevchenko National University of Kyiv, Kyiv, UkraineView further author information
,
Igor V. Levkovb Department of Organic Chemistry, Faculty of Chemistry, Taras Shevchenko National University of Kyiv, Kyiv, UkraineView further author information
,
Tetyana V. Yegorovab Department of Organic Chemistry, Faculty of Chemistry, Taras Shevchenko National University of Kyiv, Kyiv, UkraineCorrespondence[email protected]
View further author information
,
Andrii I. Kysilb Department of Organic Chemistry, Faculty of Chemistry, Taras Shevchenko National University of Kyiv, Kyiv, UkraineView further author information
,
Sergey V. Shilinb Department of Organic Chemistry, Faculty of Chemistry, Taras Shevchenko National University of Kyiv, Kyiv, UkraineView further author information
,
Irina S. Konovalovac SSI “Institute for Single Crystals” NAS of Ukraine, Kharkiv, UkraineView further author information
,
Svitlana V. Shishkinac SSI “Institute for Single Crystals” NAS of Ukraine, Kharkiv, UkraineView further author information
,
Hicham Bakkalia Department of Condensed Matter Physics and IMEYMAT: Institute of Research on Electron Microscopy and Materials, University of Cadiz, Cádiz, SpainView further author information
,
Eduardo Blancoa Department of Condensed Matter Physics and IMEYMAT: Institute of Research on Electron Microscopy and Materials, University of Cadiz, Cádiz, SpainView further author information
&
Zoia V. Voitenkob Department of Organic Chemistry, Faculty of Chemistry, Taras Shevchenko National University of Kyiv, Kyiv, UkraineView further author information
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Pages 16-24 | Published online: 27 Jul 2021
 
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Abstract

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.

Acknowledgments

The authors thank Dr. Illia Guralskyi for helpful discussions.

Disclosure statement

The authors declared that there is no conflict of interest.

Additional information

Funding

This work was supported by the ERASMUS + under grant [KA107 program of Cadiz university] and by the Ministry of Education and Science of Ukraine under grant [number 2201290].

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