Synthesis, Characterization, DFT, and Thermogravimetric Analysis of Neutral Co(II)/Pyrazole Complex, Catalytic Activity toward Catecholase and Phenoxazinone Oxidation - Université de Lille
Article Dans Une Revue Crystals Année : 2023

Synthesis, Characterization, DFT, and Thermogravimetric Analysis of Neutral Co(II)/Pyrazole Complex, Catalytic Activity toward Catecholase and Phenoxazinone Oxidation

Résumé

The pyrazole-pyridin-2-amine, as a tridentate pyrazole ligand, and its neutral Co(II)/pyrazole complex were prepared using a direct method with a high yield. The desired pyrazole ligand and its complex were subjected to several physicochemical and thermal analyses; moreover, the DFT-like optimization of MEP, HOMO/LUMO, and TD-DFT correlated well with their experimental relatives. Additionally, the oxidation catalytic activities of the Co(II)/pyrazole complex, such as the catecholase of catechol to o-quinone and the phenoxazinone of 2-aminophenol to 2-aminophenoxazinone, were also evaluated under mild RT conditions and atmospheric oxygen.

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Matériaux
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hal-03980608 , version 1 (09-02-2023)

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Mohamed El Boutaybi, Nadia Bouroumane, Mohamed Azzouzi, Mohamed Aaddouz, Said Bacroume, et al.. Synthesis, Characterization, DFT, and Thermogravimetric Analysis of Neutral Co(II)/Pyrazole Complex, Catalytic Activity toward Catecholase and Phenoxazinone Oxidation. Crystals, 2023, Crystals, 13 (2), pp.155. ⟨10.3390/cryst13020155⟩. ⟨hal-03980608⟩
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