Title :

Electronic Spectroscopies Combined with Quantum Chemistry Calculations: Study of the Interactions of 3-Hydroxyflavone with Copper Ions

Author(s) :

Moncomble, Aurélien [Auteur]
Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement (LASIRE) - UMR 8516
Falantin, Cécilia [Auteur]
Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 [LASIRE]
Cornard, Jean-Paul [Auteur]
Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement (LASIRE) - UMR 8516

Journal title :

The Journal of Physical Chemistry B

Volume number :

122

Pages :

8943-8951

Publication date :

2018-09

HAL domain(s) :

Chimie/Chimie théorique et/ou physique

English abstract : [en]

The current study aims at obtaining a better understanding of the mechanisms involved in the complexation of copper ions by 3-hydroxyflavone (3HF), which is one of the most studied compounds of the flavonoid family. To ...
Show more >The current study aims at obtaining a better understanding of the mechanisms involved in the complexation of copper ions by 3-hydroxyflavone (3HF), which is one of the most studied compounds of the flavonoid family. To achieve this goal, quantum chemistry calculations combined with electronic spectroscopies, including absorption, fluorescence emission, and excitation, have been used. The formation of successive complexes of stoichiometry (metal/ligand) 1:2, 1:1, and 3:2 has been highlighted. Even under acidic conditions (pH = 4.0), the α-hydroxy-keto function of the molecule presents a high complexing power with regard to copper ions, insofar as a stable complex of 1:2 stoichiometry is obtained with a large conditional stability constant (log β = 8.7). The formation of this predominant species induces a quenching of the dual fluorescence of 3HF, whereas the second complex of stoichiometry 1:1 presents a fluorescence emission.Show less >

Language :

Anglais

Audience :

Internationale

Popular science :

Non

Administrative institution(s) :

CNRS
ENSCL
Université de Lille

Collections :

• Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement (LASIRE) - UMR 8516

Research team(s) :

Physicochimie de l’Environnement (PCE)

Submission date :

2021-11-16T08:23:24Z
2024-02-21T10:03:32Z