Optical Materials, издание 122, страницы 111661

Chemical design of carbazole dendrons: Optical properties and DFT analysis

Тип публикацииJournal Article
Дата публикации2021-12-01
ЖурналOptical Materials
Квартиль SCImagoQ1
Квартиль WOSQ2
Impact factor3.9
Electronic, Optical and Magnetic Materials
Organic Chemistry
Inorganic Chemistry
Physical and Theoretical Chemistry
Atomic and Molecular Physics, and Optics
Electrical and Electronic Engineering
Краткое описание
In this study, the synthetic approach, structural characterization and optical properties of series of carbazole derivatives with different functional groups were investigated in order to provide the foundations and develop novel materials with required characteristics suitable for obtaining opto- and electrical devices. Such molecules can act as building blocks for more complex organic molecules. The compositions and structural characteristics of them were determined by the elemental analysis, infrared and NMR spectroscopy, mass-spectrometry, thermal analysis, UV/Vis and fluorescence spectroscopy. The geometry optimization of the most stable conformers was performed using TDDFT calculations which were also employed to gain insight into the experimental data. Optical measurements and computational studies imply that the compounds are non-planar due to steric repulsion of hydrogen atoms and take a curved conformation with angles 45.5°–55.9° between the carbazole and aryl substituents planes. All synthesized compounds have intense fluorescence in solution with quantum yields from 18% to 50% and exhibit solid state fluorescence from bluish-white to blue-green, that can be adjusted by introducing various substituents focusing on functionalization at the 3,6- and 9-positions. • A series of carbazole derivatives differing in the chain length and nature of active functional group were synthesized. • Optical properties were studied for solid samples and in solutions. • It was established that the synthesized compounds exhibit solid state fluorescence.

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Dyes and Pigments
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Gruzdev M. S. et al. Chemical design of carbazole dendrons: Optical properties and DFT analysis // Optical Materials. 2021. Vol. 122. p. 111661.
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Gruzdev M. S., Chervonova U. V., Ksenofontov A. A., Bichan N. G., Kolker A. Chemical design of carbazole dendrons: Optical properties and DFT analysis // Optical Materials. 2021. Vol. 122. p. 111661.
DO - 10.1016/j.optmat.2021.111661
UR - https://doi.org/10.1016/j.optmat.2021.111661
TI - Chemical design of carbazole dendrons: Optical properties and DFT analysis
T2 - Optical Materials
AU - Gruzdev, Matvey S
AU - Chervonova, U V
AU - Ksenofontov, Alexander A
AU - Bichan, Nataliya G
AU - Kolker, A.M.
PY - 2021
DA - 2021/12/01 00:00:00
PB - Elsevier
SP - 111661
VL - 122
SN - 0925-3467
ER -
BibTex |
author = {Matvey S Gruzdev and U V Chervonova and Alexander A Ksenofontov and Nataliya G Bichan and A.M. Kolker},
title = {Chemical design of carbazole dendrons: Optical properties and DFT analysis},
journal = {Optical Materials},
year = {2021},
volume = {122},
publisher = {Elsevier},
month = {dec},
url = {https://doi.org/10.1016/j.optmat.2021.111661},
pages = {111661},
doi = {10.1016/j.optmat.2021.111661}
Gruzdev, M. S., et al. “Chemical Design of Carbazole Dendrons: Optical Properties and DFT Analysis.” Optical Materials, vol. 122, Dec. 2021, p. 111661. Crossref, https://doi.org/10.1016/j.optmat.2021.111661.