Crystals, Vol. 13, Pages 155: Synthesis, Characterization, DFT, and Thermogravimetric Analysis of Neutral Co(II)/Pyrazole Complex, Catalytic Activity toward Catecholase and Phenoxazinone Oxidation

Crystals, Vol. 13, Pages 155: Synthesis, Characterization, DFT, and Thermogravimetric Analysis of Neutral Co(II)/Pyrazole Complex, Catalytic Activity toward Catecholase and Phenoxazinone Oxidation

Crystals doi: 10.3390/cryst13020155

Authors: Mohamed El Boutaybi Nadia Bouroumane Mohamed Azzouzi Mohamed Aaddouz Said Bacroume Mohamed El Miz Rachid Touzani Zahra Bahari Abdelkader Zarrouk Adel El-Marghany Charafeddine Jama Ahmed Abu-Rayyan Ismail Warad

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.