Karina Dania Agusta, Martina Fridayanti Miharja, Aditya Wibawa Sakti, Ubed Sonai Fahruddin Arrozi, Laela Mukaromah, Aep Patah, Takayoshi Hara, Yessi Permana
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. © 2022 Elsevier B.V.
Inorganic and Physical Chemistry Research Division, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Jl. Ganesha 10, Bandung, 40132, Indonesia; Chemistry Department, Pertamina University, Jl. Teuku Nyak Arief, Jakarta, 12220, Indonesia; Waseda Research Institute for Science and Engineering (WISE), Waseda University, Tokyo, 169-8555, Japan; Department of Chemistry, Faculty of Mathematics and Sciences, State University of Malang, Jl. Semarang 5, East Java, Malang, 65145, Indonesia; Department of Applied Chemistry and Biotechnology, Graduate School of Engineering, Chiba University, 1-33, Yayoi, Inage, Chiba, 263-8522, Japan