Facile Charge Transfer between Barbituric ...
Type de document :
Compte-rendu et recension critique d'ouvrage
DOI :
Titre :
Facile Charge Transfer between Barbituric Acid and Chloranilic Acid over g-C3N4: Synthesis, Characterization and DFT Study
Auteur(s) :
Mersal, Gaber [Auteur]
Taif University [TU]
Ibrahim, Mohamed [Auteur]
Taif University [TU]
Amin, Mohammed [Auteur]
Taif University [TU]
Mezni, Amine [Auteur]
Taif University [TU]
Mostafa, Nasser [Auteur]
Suez Canal University
Alharthi, Sarah [Auteur]
Taif University [TU]
Boukherroub, Rabah [Auteur]
NanoBioInterfaces - IEMN [NBI - IEMN]
El-Sheshtawy, Hamdy [Auteur]
Kafrelsheikh University
Taif University [TU]
Ibrahim, Mohamed [Auteur]
Taif University [TU]
Amin, Mohammed [Auteur]
Taif University [TU]
Mezni, Amine [Auteur]
Taif University [TU]
Mostafa, Nasser [Auteur]
Suez Canal University
Alharthi, Sarah [Auteur]
Taif University [TU]
Boukherroub, Rabah [Auteur]
NanoBioInterfaces - IEMN [NBI - IEMN]
El-Sheshtawy, Hamdy [Auteur]
Kafrelsheikh University
Titre de la revue :
Crystals
Pagination :
636
Éditeur :
MDPI
Date de publication :
2021
ISSN :
2073-4352
Mot(s)-clé(s) en anglais :
barbituric acid
chloranilic acid
charge transfer
g-C3N4
DFT calculation
chloranilic acid
charge transfer
g-C3N4
DFT calculation
Discipline(s) HAL :
Chimie/Matériaux
Chimie/Chimie théorique et/ou physique
Chimie/Chimie théorique et/ou physique
Résumé en anglais : [en]
The molecular complexes between barbituric acid (BU) and chloranilic acid (ChA) over graphitic nitride (g-C3N4) are investigated. The molecular complexes and the nanocomposite were investigated both in solid state and in ...
Lire la suite >The molecular complexes between barbituric acid (BU) and chloranilic acid (ChA) over graphitic nitride (g-C3N4) are investigated. The molecular complexes and the nanocomposite were investigated both in solid state and in methanol. The solid complexes and the corresponding nanocomposite were investigated using FTIR, TGA, and UV-Vis spectroscopy. The structures were explored using DFT calculations using wB97XD/ and def2-TZVP basis set. The DFT calculations revealed the formation of hydrogen-bonded complexes, which initiate the proton transfer from ChA to BU. Immobilization of the BUChA complex over the g-C3N4 sheet was stabilized by weak non-covalent interactions, such as π–π interactions. g-C3N4 facilitated the charge transfer process, which is beneficial for different applications.Lire moins >
Lire la suite >The molecular complexes between barbituric acid (BU) and chloranilic acid (ChA) over graphitic nitride (g-C3N4) are investigated. The molecular complexes and the nanocomposite were investigated both in solid state and in methanol. The solid complexes and the corresponding nanocomposite were investigated using FTIR, TGA, and UV-Vis spectroscopy. The structures were explored using DFT calculations using wB97XD/ and def2-TZVP basis set. The DFT calculations revealed the formation of hydrogen-bonded complexes, which initiate the proton transfer from ChA to BU. Immobilization of the BUChA complex over the g-C3N4 sheet was stabilized by weak non-covalent interactions, such as π–π interactions. g-C3N4 facilitated the charge transfer process, which is beneficial for different applications.Lire moins >
Langue :
Anglais
Vulgarisation :
Non
Source :
Fichiers
- https://hal.archives-ouvertes.fr/hal-03441462/document
- Accès libre
- Accéder au document
- https://hal.archives-ouvertes.fr/hal-03441462/document
- Accès libre
- Accéder au document
- document
- Accès libre
- Accéder au document
- Mersal_2021_crystals-11-00636.pdf
- Accès libre
- Accéder au document
- Accès libre
- Accéder au document