Zr-MOFs–catalyzed transfer hydrogenation of furfural to furfuryl alcohol: Unveiled performance of DUT-52

Karina Dania Agusta, Martina Fridayanti Miharja, Aditya Wibawa Sakti, Ubed Sonai Fahruddin Arrozi, Laela Mukaromah, Aep Patah, Takayoshi Hara, Yessi Permana*

*この研究の対応する著者

研究成果: Article査読

2 被引用数 (Scopus)

抄録

Catalytic transfer hydrogenation (CTH) of 2-furfuraldehyde (FALD) at 1 atm has potential industrial applications to produce furfuryl alcohol (FOL) and its derivatives mildly. The process was explored using alcohols in the absence of H2. Solvothermally prepared zirconium(IV) metal organic frameworks (Zr-MOFs) of DUT-52 (DUT: Dresden University of Technology) and UiO-66 (UiO: University of Oslo) were employed in the CTH. Energetic studies (GFN2-xTB level) revealed a similar Gibbs free energy of DUT-52 and UiO-66 when they were reacted by 2-propanol. Electrostatic potential (ESP) charges and Wiberg bond order (WBO) calculations showed that two Zr atoms available for FALD coordination had higher Lewis acidity in DUT-52 than UiO-66. DUT-52 successfully gave >99% of FOL in 3 h at 160 °C under 2-propanol with Ea of 61 kJ/mol and an equal turnover frequency (TOF) to UiO-66 (5.4 h−1). DUT-52 was also easily recyclable up to the 4th run with no significant performance loss.

本文言語English
論文番号112265
ジャーナルMolecular Catalysis
524
DOI
出版ステータスPublished - 2022 5月

ASJC Scopus subject areas

  • 触媒
  • プロセス化学およびプロセス工学
  • 物理化学および理論化学

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