Journal
JOURNAL OF CATALYSIS
Volume 374, Issue -, Pages 110-117Publisher
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jcat.2019.04.023
Keywords
Acylation; Metal-organic framework; Benzoxazoles; Ring-opening mechanism; Heterogeneous catalysis
Categories
Funding
- Vietnam National University, Ho Chi Minh city [VNU-C2018-50-2, TX-2019-50-01]
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Zirconium- and hafnium-based metal-organic frameworks which constructed by 12-coordinated clusters and 6-coodinated clusters were shown to be highly effective heterogeneous catalysts for the ring opening acylation of benzoxazole to 2-arylbenzoxazole under solvent free conditions. Owning the wide opening spaces structures and inherent formate sites, MOFs based on 6-connected Zr-6/Hf-6 node were able to identify a significantly enhanced yield in Bronsted acid catalyzed reactions under conventional heating and microwave irradiation. In addition, the detailed mechanism of active sites of the ring opening acylation reaction was confirmed by employing of density functional theory (DFT) calculations. (C) 2019 Elsevier Inc. All rights reserved.
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