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

Abstract

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.

Keywords

• cobalt(II)
• pyrazole
• catecholase
• phenoxazinone
• DFT