Intermolecular interaction in [C6H10N3]2[CoCl4] complex: Synthesis, XRD/HSA relation, spectral and catecholase catalytic analysis - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Journal of Molecular Structure Année : 2020

Intermolecular interaction in [C6H10N3]2[CoCl4] complex: Synthesis, XRD/HSA relation, spectral and catecholase catalytic analysis

Résumé

Complex of bis(6-amino-2,4-dimethylpyrimidin-1-ium) tetrachloridecobaltate(II) [C6H10N3]2[CoCl4] was synthesized and characterized using several physicochemical surveys as FT-IR, 1H & 13C-NMR, Hirshfeld surface (HSA) and XRD-diffraction analysis. The XRD and HSA quantified a significant contribution of non-covalent H-bonds interactions in lattice to build an ionic form of the [C6H10N3]2[CoCl4] complex. The molecular arrangement is qualified for the desired complex as an alternation of inorganic and organic species, the organic C6H10N3 cationic ligand and inorganic [CoCl4] 2tetrahedral anionic metal center connected together via several short interactions like-HN-H…Cl, Nring-H+…Cl and Cring-H…Cl Hbonds interactions. The complex was tested as a catalyst for the oxidation reaction in methanol from 3,5-ditertiarybutylcatechol to 3,5 ditertiarybutylquinone. The [C6H10N3]2[CoCl4] complex displays a good catalytic activity in aerobic condition, with a reaction rate Vmax = 10.11×10-4 M.L-1 .h-1 and key kinetics parameters KM = 0.12 M and kcat = 84.08 M-1 .h-1 .
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Dates et versions

hal-02887895 , version 1 (23-11-2020)

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Abderrahim Titi, Ismail Warad, Monique Tillard, Rachid Touzani, Mouslim Messali, et al.. Intermolecular interaction in [C6H10N3]2[CoCl4] complex: Synthesis, XRD/HSA relation, spectral and catecholase catalytic analysis. Journal of Molecular Structure, 2020, 1217, pp.128422. ⟨10.1016/j.molstruc.2020.128422⟩. ⟨hal-02887895⟩
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