Experimental and computational investigation of a green Knoevenagel condensation catalyzed by zeolitic imidazolate framework-8
- Authors
- Tran, V.A.; Quynh, L.N.; Vo, T.T.T.; Nguyen, P.A.; Don, T.N.; Vasseghian, Y.; Phan, H.; Lee, Sang-Wha
- Issue Date
- Mar-2022
- Publisher
- ACADEMIC PRESS INC ELSEVIER SCIENCE
- Keywords
- Density functional theory; Environmentally friendly; Knoevenagel reaction; Metal–organic framework; Zeolitic imidazolate framework-8
- Citation
- Environmental Research, v.204
- Journal Title
- Environmental Research
- Volume
- 204
- URI
- https://scholarworks.bwise.kr/gachon/handle/2020.sw.gachon/83001
- DOI
- 10.1016/j.envres.2021.112364
- ISSN
- 0013-9351
- Abstract
- ZIF-8 is a highly porous, stable, and abundant surface area material that can be used as an environmentally friendly catalyst for Knoevenagel condensations. The effects of the ratio of the reactants (benzaldehyde (BA):ethyl cyanoacetate (ECA)), reaction temperature, and catalyst concentration were systematically investigated using a ZIF-8 catalyst and water as the solvent. ZIF-8 (3–5 wt%) showed excellent catalytic performance with an almost complete conversion of BA in less than 6 h with a BA:ECA molar ratio of 1:2 at different temperatures. At 60 °C, the BA conversion rate and product selectivity of the reaction reached their highest values after 4 h with a BA:ECA molar ratio of 1:1. When employing 5.0 wt% ZIF-8, almost complete BA conversion was achieved after 3 h at room temperature. ZIF-8 also demonstrated good recyclability with almost no change in its catalytic activity over five cycles. The proposed reaction mechanism is based on the catalytic activity of the basic N sites on the surface of ZIF-8, and is supported by density functional theory calculations. The present approach provides a promising strategy for the construction of simple and environmentally friendly ZIF-8 catalysts. © 2021 Elsevier Inc.
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