Spectroscopic characterization and binding interaction of heavy metal onto the surface receptor of the azobenzene: DFT and experimental approach

•The azoic dye has been synthesized and analyzed experimentally and theoretically using DFT and TD-DFT analyses.•The solvent effect on the optoelectronic properties of the azoic compound has been studied.•The UV-Visible spectrum of the azoic molecule red-shifted after the adsorption of different cat...

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Veröffentlicht in:	Journal of molecular structure 2021-11, Vol.1244, p.130962, Article 130962
Hauptverfasser:	Chaabene, Marwa, Agren, Soumaya, Haskouri, Jamal El, Allouche, Abdul-Rahman, Mohamed, Lahcini, Chaâbane, Rafik Ben, Baouab, Mohamed Hassen V
Format:	Artikel
Sprache:	eng
Schlagworte:	Azobenzene Chemical Sciences Engineering Sciences FMOs MEP NPA Physics Solvent effects and adsorption energy
Online-Zugang:	Volltext
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