Synthesis, Theoretical and Experimental Investigation of Electronic Properties of New Fluoranthenyl-Based Compounds for OLEDs Applications.

Autor: Bennacer PY; Department of Chemistry, Laboratoire de Chimie des Matériaux Constantine, Université des Frères Mentouri Constantine 1, BP, 325 Route de Ain El Bey, Constantine, Algérie, 25017., Guergouri M; Department of Chemistry, Laboratoire de Chimie des Matériaux Constantine, Université des Frères Mentouri Constantine 1, BP, 325 Route de Ain El Bey, Constantine, Algérie, 25017., Bensegueni R; Department of Chemistry, Laboratoire de Chimie des Matériaux Constantine, Université des Frères Mentouri Constantine 1, BP, 325 Route de Ain El Bey, Constantine, Algérie, 25017.; Department of Chemistry, Université Mohamed Cherif Messaadia Souk Ahras 41000, Algérie., Boutebdja M; Department of Materials Engineering, Ecole nationale polytechnique de Constantine, BP 75, A, Nouvelle ville RP, Constantine, Algérie.; Unité de Recherche de Chimie de l'Environnement et Moléculaire Structurale, Faculté des sciences exactes, Université des frères Mentouri Constantine 1, route d'Ain El Bey, Constantine, 25000, Algérie., Kherrouba A; Department of Chemistry, Laboratoire de Chimie des Matériaux Constantine, Université des Frères Mentouri Constantine 1, BP, 325 Route de Ain El Bey, Constantine, Algérie, 25017.
Jazyk: angličtina
Zdroj: ChemPlusChem [Chempluschem] 2024 Jul; Vol. 89 (7), pp. e202300583. Date of Electronic Publication: 2024 Feb 06.
DOI: 10.1002/cplu.202300583
Abstrakt: Three novel conjugated molecules have been synthesized: 2-(fluoranthen-3-yliminomethyl)-3,4-ethylenedioxythio-phene (EIF), 2-(fluoranthen-3-yliminomethyl) thiophene (TIF), and 2-(fluoranthen-3-yliminomethyl) fluorene (FIF). Optical properties were obtained from electronic absorption and emission spectra in DMSO solution. The solvatochromic properties of the molecules have been studied in different solvents. Electrochemical properties were studied by cyclic voltammetry in a Bu 4 NBF 4 (0.1 M)/MeCN organic solution. As part of investigations to explain the nature of electronic transition process, we have performed geometry optimization of both the ground and the vertical excitation states, using the DFT B3LYP/6-311G (d, p) and TD-DFT (CPCM)/B3LYP/6-311G (d, p) approaches, respectively. Theoretical calculations closely match the experimental findings. Results show that EIF, TIF and FIF are potential candidates to be used as electron transport layer in Organic Light-Emitting Diodes (OLEDs).
(© 2024 Wiley-VCH GmbH.)
Databáze: MEDLINE
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