@article{0d027d6bd4624da2b5ba7e38d5b1ab31,
title = "Zr-MOFs–catalyzed transfer hydrogenation of furfural to furfuryl alcohol: Unveiled performance of DUT-52",
abstract = "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.",
keywords = "Catalytic transfer hydrogenation, DUT-52, Furfuraldehyde, Furfuryl alcohol, GFN2-xTB",
author = "Agusta, {Karina Dania} and Miharja, {Martina Fridayanti} and Sakti, {Aditya Wibawa} and Arrozi, {Ubed Sonai Fahruddin} and Laela Mukaromah and Aep Patah and Takayoshi Hara and Yessi Permana",
note = "Funding Information: This work was supported by PT Inovasi Hijau Indonesia (2020-2022) for a project on bio-based chemicals via catalytic transfer hydrogenation of furfural, furfuryl alcohol, and fatty acids. YP thanks BPDPSawit (FY-2016, 2018) for the support on analytical instruments (1H 60 MHz - NMReady 60e & Rigaku Miniflex 600 D/teX Ultra) and P2MI-ITB (2021) for the support on a computational server. K.D.A is grateful for Research Assistance Fellowship at ITB from PT. Inovasi Hijau Indonesia (Nov 2020 – Oct 2021). M.F.M is grateful for Bachelor Degree Scholarships from IA-ITB (2020-2021), IA-ITB Kimia 2011 (2021), & Kemendikbud KIPK 2021. Y.P. also acknowledges Siti Hartinah Qurbayni, Melana Daniela Nguru, and Azi Ibnu Sulistia for lab assistances in catalytic transfer hydrogenations, Arif Rahman (Jakarta State University) and ELSA-BRIN (LIPI Serpong) for N2 physisorption measurements, and Dr. Rodiansono (Lambung Mangkurat University) for kind supplies of 2-methylfuran, 1,2-pentanediol, and 1,5-pentanediol. Funding Information: This work was supported by PT Inovasi Hijau Indonesia (2020-2022) for a project on bio-based chemicals via catalytic transfer hydrogenation of furfural, furfuryl alcohol, and fatty acids. YP thanks BPDPSawit (FY-2016, 2018) for the support on analytical instruments ( 1 H 60 MHz - NMReady 60e & Rigaku Miniflex 600 D/teX Ultra) and P2MI-ITB (2021) for the support on a computational server. K.D.A is grateful for Research Assistance Fellowship at ITB from PT. Inovasi Hijau Indonesia (Nov 2020 – Oct 2021). M.F.M is grateful for Bachelor Degree Scholarships from IA-ITB (2020-2021), IA-ITB Kimia 2011 (2021), & Kemendikbud KIPK 2021. Y.P. also acknowledges Siti Hartinah Qurbayni, Melana Daniela Nguru, and Azi Ibnu Sulistia for lab assistances in catalytic transfer hydrogenations, Arif Rahman (Jakarta State University) and ELSA-BRIN (LIPI Serpong) for N 2 physisorption measurements, and Dr. Rodiansono (Lambung Mangkurat University) for kind supplies of 2-methylfuran, 1,2-pentanediol, and 1,5-pentanediol. Publisher Copyright: {\textcopyright} 2022 Elsevier B.V.",
year = "2022",
month = may,
doi = "10.1016/j.mcat.2022.112265",
language = "English",
volume = "524",
journal = "Molecular Catalysis",
issn = "2468-8231",
publisher = "Elsevier BV",
}