Synthesis, Characterization, DFT, and Thermogravimetric Analysis of Neutral Co(II)/Pyrazole Complex, Catalytic Activity toward Catecholase and Phenoxazinone Oxidation
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 optimizatio...
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MDPI AG
2023-01-01
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| author | 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 |
| author_facet | 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 |
| author_sort | Mohamed El Boutaybi |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-03-11T08:58:55Z |
| format | Article |
| id | doaj.art-63296821052d4e41b2df9c48b2060ce3 |
| institution | Directory Open Access Journal |
| issn | 2073-4352 |
| language | English |
| last_indexed | 2024-03-11T08:58:55Z |
| publishDate | 2023-01-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Crystals |
| spelling | doaj.art-63296821052d4e41b2df9c48b2060ce32023-11-16T19:54:12ZengMDPI AGCrystals2073-43522023-01-0113215510.3390/cryst13020155Synthesis, Characterization, DFT, and Thermogravimetric Analysis of Neutral Co(II)/Pyrazole Complex, Catalytic Activity toward Catecholase and Phenoxazinone OxidationMohamed El Boutaybi0Nadia Bouroumane1Mohamed Azzouzi2Mohamed Aaddouz3Said Bacroume4Mohamed El Miz5Rachid Touzani6Zahra Bahari7Abdelkader Zarrouk8Adel El-Marghany9Charafeddine Jama10Ahmed Abu-Rayyan11Ismail Warad12Multidisciplinary Faculty of Nador, Laboratory of Molecular Chemistry, Materials and Environment (LMCME), University Mohammed Premier, Oujda 60000, MoroccoMultidisciplinary Faculty of Nador, Laboratory of Molecular Chemistry, Materials and Environment (LMCME), University Mohammed Premier, Oujda 60000, MoroccoMultidisciplinary Faculty of Nador, Laboratory of Molecular Chemistry, Materials and Environment (LMCME), University Mohammed Premier, Oujda 60000, MoroccoFaculty of Sciences, Laboratory of Environment and Applied Chemistry (LCAE), University Mohammed Premier, Oujda 60000, MoroccoSuperior School of Technology, Laboratory of Applied Mathematics and Information Systems (LAMIS), University Mohammed Premier, Nador 60000, MoroccoMultidisciplinary Faculty of Nador, Laboratory of Molecular Chemistry, Materials and Environment (LMCME), University Mohammed Premier, Oujda 60000, MoroccoSuperior School of Technology, Laboratory of Applied Mathematics and Information Systems (LAMIS), University Mohammed Premier, Nador 60000, MoroccoMultidisciplinary Faculty of Nador, Laboratory of Molecular Chemistry, Materials and Environment (LMCME), University Mohammed Premier, Oujda 60000, MoroccoLaboratory of Materials, Nanotechnology, and Environment, Faculty of Sciences, Mohammed V University in Rabat, Agdal-Rabat P.O. Box 1014, MoroccoDepartment of Chemistry, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi ArabiaUMR 8207—UMET—Unité Matériaux et Transformations, Centrale Lille, INRAE, CNRS, University Lille, 59000 Lille, FranceChemistry Department, Faculty of Arts & Science, Applied Science Private University, P.O. Box 166, Amman 11931, JordanDepartment of Chemistry, AN-Najah National University, Nablus P.O. Box 7, PalestineThe 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.https://www.mdpi.com/2073-4352/13/2/155cobalt(II)pyrazolecatecholasephenoxazinoneDFT |
| spellingShingle | 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 Synthesis, Characterization, DFT, and Thermogravimetric Analysis of Neutral Co(II)/Pyrazole Complex, Catalytic Activity toward Catecholase and Phenoxazinone Oxidation Crystals cobalt(II) pyrazole catecholase phenoxazinone DFT |
| title | Synthesis, Characterization, DFT, and Thermogravimetric Analysis of Neutral Co(II)/Pyrazole Complex, Catalytic Activity toward Catecholase and Phenoxazinone Oxidation |
| title_full | Synthesis, Characterization, DFT, and Thermogravimetric Analysis of Neutral Co(II)/Pyrazole Complex, Catalytic Activity toward Catecholase and Phenoxazinone Oxidation |
| title_fullStr | Synthesis, Characterization, DFT, and Thermogravimetric Analysis of Neutral Co(II)/Pyrazole Complex, Catalytic Activity toward Catecholase and Phenoxazinone Oxidation |
| title_full_unstemmed | Synthesis, Characterization, DFT, and Thermogravimetric Analysis of Neutral Co(II)/Pyrazole Complex, Catalytic Activity toward Catecholase and Phenoxazinone Oxidation |
| title_short | Synthesis, Characterization, DFT, and Thermogravimetric Analysis of Neutral Co(II)/Pyrazole Complex, Catalytic Activity toward Catecholase and Phenoxazinone Oxidation |
| title_sort | synthesis characterization dft and thermogravimetric analysis of neutral co ii pyrazole complex catalytic activity toward catecholase and phenoxazinone oxidation |
| topic | cobalt(II) pyrazole catecholase phenoxazinone DFT |
| url | https://www.mdpi.com/2073-4352/13/2/155 |
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