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Anh Tran V, Nhu Quynh LT, Thi Vo TT, et al. Experimental and computational investigation of a green Knoevenagel condensation catalyzed by zeolitic imidazolate framework-8. Environ Res. 2021;204:112364doi: 10.1016/j.envres.2021.112364.
Anh Tran, V., Nhu Quynh, L. T., Thi Vo, T. T., Nguyen, P. A., Don, T. N., Vasseghian, Y., Phan, H., & Lee, S. W. (2022). Experimental and computational investigation of a green Knoevenagel condensation catalyzed by zeolitic imidazolate framework-8. Environmental research, 204112364. https://doi.org/10.1016/j.envres.2021.112364
Anh Tran, Vy, et al. "Experimental and computational investigation of a green Knoevenagel condensation catalyzed by zeolitic imidazolate framework-8." Environmental research vol. 204 (2022): 112364. doi: https://doi.org/10.1016/j.envres.2021.112364
Anh Tran V, Nhu Quynh LT, Thi Vo TT, Nguyen PA, Don TN, Vasseghian Y, Phan H, Lee SW. Experimental and computational investigation of a green Knoevenagel condensation catalyzed by zeolitic imidazolate framework-8. Environ Res. 2022 Mar;204:112364. doi: 10.1016/j.envres.2021.112364. Epub 2021 Nov 09. PMID: 34767819.
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Environ Res. 2022 Mar;204:112364. doi: 10.1016/j.envres.2021.112364. Epub 2021 Nov 09.

Experimental and computational investigation of a green Knoevenagel condensation catalyzed by zeolitic imidazolate framework-8.

Environmental research

Vy Anh Tran, Le Thi Nhu Quynh, Thu-Thao Thi Vo, Phuc An Nguyen, Ta Ngoc Don, Yasser Vasseghian, Hung Phan, Sang-Wha Lee

Affiliations

  1. Department of Chemical and Biochemical Engineering, Gachon University, 1342 Seongnamdaero, Sujeong-gu, Seongnam-si, 13120, Republic of Korea.
  2. Department of Chemistry, Biology and Environment, Pham Van Dong University, Quang Ngai City, 570000, Viet Nam.
  3. Department of Food Science and Biotechnology, Gachon University, 1342 Seongnamdaero, Sujeong-gu, Seongnam-si, 13120, Republic of Korea.
  4. Fulbright University Vietnam, 105 Ton Dat Tien, District 7, Ho Chi Minh City, 72908, Viet Nam.
  5. Ministry of Education and Training, Ha Noi City, 570000, Viet Nam.
  6. Department of Chemical Engineering, Quchan University of Technology, Quchan, Iran. Electronic address: [email protected].
  7. Fulbright University Vietnam, 105 Ton Dat Tien, District 7, Ho Chi Minh City, 72908, Viet Nam. Electronic address: [email protected].
  8. Department of Chemical and Biochemical Engineering, Gachon University, 1342 Seongnamdaero, Sujeong-gu, Seongnam-si, 13120, Republic of Korea. Electronic address: [email protected].

PMID: 34767819 DOI: 10.1016/j.envres.2021.112364

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.

Copyright © 2021 Elsevier Inc. All rights reserved.

Keywords: Density functional theory; Environmentally friendly; Knoevenagel reaction; Metal–organic framework; Zeolitic imidazolate framework-8

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