Insights into the new cobalt (II) monosubstituted keggin-type polyoxomolybdate: synthesis, characterizations, and application in the catalytic degradation of crystal violet dye

Ghandour, Yassine; Mchiri, Chadlia; Mestiri, Imen; Alzahrani, Abdullah Y. A.; Nasri, Habib

doi:10.1007/s12039-022-02071-z

Cited by 9 publications

(2 citation statements)

References 48 publications

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“…S4b, ESI †), which were generally considered to be Co II /Co I . [68][69][70] The LUMO of compounds 1 and 2 were mainly distributed on cobalt ions, and was analysed used DFT calculations. The process of electron transfer may be that the excited photoelectrons from [Ru(bpy) 3 ]Cl 2 transferred to the Co site by the internal transfer of the catalyst, and further reduced the Co 2+ to Co + .…”

Section: Possible Photocatalytic Mechanismmentioning

confidence: 99%

[W₁₀O₃₂]⁴⁻-based POMOFs with different nuclear cobalt clusters for photoreduction of CO₂ to produce syngas

et al. 2023

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Section: Possible Photocatalytic Mechanismmentioning

confidence: 99%

[W₁₀O₃₂]⁴⁻-based POMOFs with different nuclear cobalt clusters for photoreduction of CO₂ to produce syngas

et al. 2023

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“…This hybrid structures have the combined advantages of high optical non-linearity and chemical exibility of organic ligands with the favourable thermal and mechanical stabilities of inorganic materials. In requital, the non-centrosymmetric structures of organic-inorganic hybrid POMs are still restricted by comparing other centrosymmetric compounds [19][20][21]. In fact, that these compounds are potential candidates as novel NLO structures thanks to their high polarity.…”

Section: Introductionmentioning

confidence: 99%

Supramolecular architecture of a novel non-centrosymmetric heteromolybdate hybrid for nonlinear optical applications: structure, characterization, stability study and DFT calculations

Djeribi,

Nagazi,

Dege

et al. 2023

Preprint

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A novel non-linear optical organic–inorganic material based on three-dimensional (3D) Strandberg-type polyoxoselenomolybdate, (C6H14N2)2[Se2Mo5O21]·2.6 H2O (I) has been successfully obtained by solution process and characterized by scanning electron microscopy, infrared and ultraviolet spectroscopy, thermogravimetric analysis, cyclic voltammetry measurement. The electronic and electrochemical stability behaviour of the compound was evaluated as a function of pH and time via UV-visible spectroscopy and cyclic voltametry. Single X-Ray diffraction was used for complete structure elucidation which confirms the title compound crystallizes in the non-centrosymmetric orthorhombic space group P212121 thus allowing non-linear optical properties. The supramolecular framework exhibits a periodic arrangement of Strandberg clusters anions [Se2Mo5O21]4– connected to each other with water molecules and Dabconium organic cations through a network of hydrogen bonds. The intermolecular interactions which ensure the cohesion between different entities were ‎analysed by density functional theory calculations and Hirshfeld surface analysis. DFT ‎calculations with different functionals have been used to better understand several properties. A good agreement was found between the experimental and computational results.

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Synthesis, Spectroscopic Characterization, Biocidal evaluation Molecular Docking & DFT Investigation of 16-18 membered Macrocyclic Complexes of Cobalt (II)

et al. 2022

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Macrocyclic ligands (MacL 1 -MacL 3 ) and Co(II) complexes were synthesized via template condensation of o-phenylenediamine with various aromatic dicarboxylic acids. The elemental analysis, FT-IR, mass spectrometry, 1 H NMR, 13 C NMR, UV-vis, SEM analysis, powder X-ray diffraction, thermogravimetric (TG) analysis, electrochemical studies, and DFT analysis were used to characterize these synthesized ligands and their cobalt (II) complexes. TGA analysis to determine the stability and decomposition kinetic parameters. In element analysis, the percentage of different elements present and also the stoichiometry of compounds were confirmed. The proposed framework for tetraaza macrocyclic cobalt (II) complexes was supported by spectral analysis, which also revealed distorted octahedral geometry surrounding the central metal atom. The molecular structure of cobalt (II) complexes was also optimized theoretically, and their electronic or thermodynamic parameters were obtained from density functional theory (DFT). The synthesized ligands and their cobalt (II) complexes were tested against bacteria: Escherichia coli, Bacillus subtitles. Candida albicans were tested for antifungal properties. It was found that ligands and complexes show good antimicrobial results. Finally, using the Auto Dock VinaPyRx programme, molecular docking studies were used to evaluate the biological significance of the synthesized ligands to identify the probable and efficient binding mechanisms between the various ligands and the active site of the receptor protein. Graphical abstract Antimicrobial, DFT, and Docking representation of Cobalt (II) macrocyclic complexes Supplementary Information The online version contains supplementary material available at 10.1007/s12039-022-02109-2.

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Insights into the new cobalt (II) monosubstituted keggin-type polyoxomolybdate: synthesis, characterizations, and application in the catalytic degradation of crystal violet dye

Cited by 9 publications

References 48 publications

[W₁₀O₃₂]⁴⁻-based POMOFs with different nuclear cobalt clusters for photoreduction of CO₂ to produce syngas

[W₁₀O₃₂]⁴⁻-based POMOFs with different nuclear cobalt clusters for photoreduction of CO₂ to produce syngas

Supramolecular architecture of a novel non-centrosymmetric heteromolybdate hybrid for nonlinear optical applications: structure, characterization, stability study and DFT calculations

Synthesis, Spectroscopic Characterization, Biocidal evaluation Molecular Docking & DFT Investigation of 16-18 membered Macrocyclic Complexes of Cobalt (II)

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Insights into the new cobalt (II) monosubstituted keggin-type polyoxomolybdate: synthesis, characterizations, and application in the catalytic degradation of crystal violet dye

Cited by 9 publications

References 48 publications

[W10O32]4−-based POMOFs with different nuclear cobalt clusters for photoreduction of CO2 to produce syngas

[W10O32]4−-based POMOFs with different nuclear cobalt clusters for photoreduction of CO2 to produce syngas

Supramolecular architecture of a novel non-centrosymmetric heteromolybdate hybrid for nonlinear optical applications: structure, characterization, stability study and DFT calculations

Synthesis, Spectroscopic Characterization, Biocidal evaluation Molecular Docking & DFT Investigation of 16-18 membered Macrocyclic Complexes of Cobalt (II)

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[W₁₀O₃₂]⁴⁻-based POMOFs with different nuclear cobalt clusters for photoreduction of CO₂ to produce syngas

[W₁₀O₃₂]⁴⁻-based POMOFs with different nuclear cobalt clusters for photoreduction of CO₂ to produce syngas