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

Chaabéne, Marwa; Agren, Soumaya; Haskouri, Jamal El; Allouche, Abdul‐Rahman; Lahcini, Mohammed; Chaâbane, Rafik Ben; Baouab, Mohamed Hassen V.

doi:10.1016/j.molstruc.2021.130962

Cited by 10 publications

(2 citation statements)

References 75 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Hence, the FT-IR bands observed at 733 and 905 cm −1 in the title compound have been assigned to C–C–C in plane bending vibrations. These vibrational frequencies are comparable to those previously reported in the literature for these groups [ 67 ]. Typically, it is extremely difficult to differentiate between the C–N and C N vibrations due to the possibility of multiple bands overlapping in this spectral region [ 68 ].…”

Section: Resultssupporting

confidence: 90%

A theoretical and electrochemical impedance spectroscopy study of the adsorption and sensing of selected metal ions by 4-morpholino-7-nitrobenzofuran

Chérif,

Gassoumi,

Ayachi

et al. 2024

Heliyon

View full text Add to dashboard Cite

Section: Resultssupporting

confidence: 90%

A theoretical and electrochemical impedance spectroscopy study of the adsorption and sensing of selected metal ions by 4-morpholino-7-nitrobenzofuran

Chérif,

Gassoumi,

Ayachi

et al. 2024

Heliyon

View full text Add to dashboard Cite

“…The electronic absorption spectra for optimized molecule calculated at the time-dependent density functional theory (TD-DFT) with CAM-B3LYP-D3/6-311G (d, p) level of theory [57,58] which is used to compute energies oscillator and the absorption wavelengths in DMSO solvent. The visualizations were performed by the graphical interfaces Gaussview [59].…”

Section: Quantum Chemical Calculationmentioning

confidence: 99%

High incorporation of magnetite nanoparticles inside tetraaza macrocyclic Schiff base cavity: spectroscopic characterization and modeling by DFT calculation

et al. 2022

Self Cite

View full text Add to dashboard Cite

This work presents a simple synthesis of tetraaza macrocyclic Schiff base ligand (C 40 H 28 N 4 ), its complex [(C 40 H 28 N 4 )@Fe(II)], and a novel complex of magnetite Fe 3 O 4 NPs incorporated inside tetraaza macrocyclic cavity [(C 40 H 28 N 4 )@Fe 3 O 4 NPs] in order to obtain welldispersed nanoparticles. The characterization and structural identi cation were carried out by 1 H NMR, 13 C and DEPT 135 NMR spectroscopy as well by X-ray spectroscopy, FT-IR, and nally by ATG using both experimental and theoretical methods. XRD measurements indicate that the presence of Schiff's bases does not modify the crystal structure of the nanoparticles (approximately 11 nm). FT-IR was used to illuminate the presence of Fe 3 O 4 NPs in tetrahedral and octahedral sites as well as their coordination with imine (C=N) of tetraaza macrocyclic. The UV-Vis spectra and frontier molecular orbitals (FMOs) of the title compounds were calculated at TD-DFT/CAM-B3LYP-D3/6-311 G (d, p) level of theory. The corresponding calculated results yield shows a good agreement with the experimental data. The morphological characterization of the nanoparticles was carried out by SEM which revealed that the shape of the NPs was generally spherical. The SEM images also show that the nanoparticles prepared by in-situ with co-precipitation method were able to form stable complexes. Thermal characterization by ATG shows that there is 64% of the magnetite nanoparticles formed in-situ which corresponds to a grafting density of 25 mmol.g −1 .

show abstract

Impedimetric sensor for iron (III) detection based on small molecule (E)-2-((phenylimino)methyl) phenol-modified platinum electrode

et al. 2023

View full text Add to dashboard Cite

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

Cited by 10 publications

References 75 publications

A theoretical and electrochemical impedance spectroscopy study of the adsorption and sensing of selected metal ions by 4-morpholino-7-nitrobenzofuran

A theoretical and electrochemical impedance spectroscopy study of the adsorption and sensing of selected metal ions by 4-morpholino-7-nitrobenzofuran

High incorporation of magnetite nanoparticles inside tetraaza macrocyclic Schiff base cavity: spectroscopic characterization and modeling by DFT calculation

Impedimetric sensor for iron (III) detection based on small molecule (E)-2-((phenylimino)methyl) phenol-modified platinum electrode

Contact Info

Product

Resources

About