Selective Methane Oxidation to Methanol on Cu-Oxo Dimers Stabilized by Zirconia Nodes of an NU-1000 Metal–Organic Framework

• Published in: Journal of the American Chemical Society Vol. 141; no. 23; pp. 9292 - 9304
• Main Authors: Zheng, Jian, Ye, Jingyun, Ortuño, Manuel A, Fulton, John L, Gutiérrez, Oliver Y, Camaioni, Donald M, Motkuri, Radha Kishan, Li, Zhanyong, Webber, Thomas E, Mehdi, B. Layla, Browning, Nigel D, Penn, R. Lee, Farha, Omar K, Hupp, Joseph T, Truhlar, Donald G, Cramer, Christopher J, Lercher, Johannes A
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 12.06.2019; American Chemical Society (ACS)
• Subjects: cation exchange; coordination polymers; copper; density functional theory; methane; methanol; oxidation; oxygen; X-ray absorption spectroscopy; zirconium oxide

Mononuclear and dinuclear copper species were synthesized at the nodes of an NU-1000 metal–organic framework (MOF) via cation exchange and subsequent oxidation at 200 °C in oxygen. Copper-exchanged MOFs are active for selectively converting methane to methanol at 150–200 °C. At 150 °C and 1 bar meth...