期刊
APPLIED CATALYSIS B-ENVIRONMENTAL
卷 297, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.apcatb.2021.120417
关键词
Nitroarene reduction; Hydrogenation; Reactive solids; CuO; Copper vacancy; Oxygen defects
资金
- Indian Institute of Technology Palakkad
- Department of Science and Technology, Government of India [MTR/20l9/000314]
CuO is utilized as a reusable solid reagent for hydrogenation of nitroarenes to aminoarenes with high efficiency, facilitating the reaction by forming oxygen vacancies on its surface in reducing environment.
Copper oxide (CuO) is used as a reusable solid reagent for hydrogenation of nitroarenes to aminoarenes. The use of CuO resulted in 100 % conversion of 2.9 mmol of nitrobenzene to aniline in 45 s at room temperature using hydrazine hydrate as the reducing agent. During the reaction, CuO is converted to inactive metallic Cu which can be regenerated to active CuO by thermal oxidation. DFT simulations indicated facile formation of oxygen vacancies (EO,vac = -3.8 kJ/mol) on the surface of CuO (111) in reducing environment which is consistent with the XPS analysis. Oxygen vacancies facilitate stronger nitrobenzene binding (-148.5 kJ/mol) and reduced activation barrier (Ea = 36.4 kJ/mol) for N-O dissociation. Motivated from this mechanistic insight -NO2 groups in various nitroarenes were selectively hydrogenated to -NH2 groups using CuO.
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