Isomerization and Selective Hydrogenation of Propyne: Screening of Metal-Organic Frameworks Modified by Atomic Layer Deposition

Ryan A. Hackler, Riddhish Pandharkar, Magali S. Ferrandon, In Soo Kim, Nicolaas A. Vermeulen, Leighanne C. Gallington, Karena W. Chapman, Omar K. Farha, Christopher J. Cramer, Joachim Sauer, Laura Gagliardi, Alex B.F. Martinson, Massimiliano Delferro

Research output: Contribution to journalArticlepeer-review

16 Scopus citations


Various metal oxide clusters upward of 8 atoms (Cu, Cd, Co, Fe, Ga, Mn, Mo, Ni, Sn, W, Zn, In, and Al) were incorporated into the pores of the metal-organic framework (MOF) NU-1000 via atomic layer deposition (ALD) and tested via high-throughput screening for catalytic isomerization and selective hydrogenation of propyne. Cu and Co were found to be the most active for propyne hydrogenation to propylene, and synergistic bimetallic combinations of Co and Zn, along with standalone Zn and Cd, were established as the most active for conversion to the isomerized product, propadiene. The combination of Co and Zn in NU-1000 diminished the propensity for full hydrogenation to propane as well as coking compared to its individual components. This study highlights the potential for high-throughput screening to survey monometallic and bimetallic cluster combinations that best affect the efficient transformation of small molecules, while discerning mechanistic differences in isomerization and hydrogenation by different metals.

Original languageEnglish (US)
Pages (from-to)20380-20389
Number of pages10
JournalJournal of the American Chemical Society
Issue number48
StatePublished - Dec 2 2020

Bibliographical note

Funding Information:
This work was supported as part of the Inorganometallic Catalyst Design Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award No. DE-SC0012702. J.S. acknowledges support by Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) within project 430942176. This work also used the Advanced Photon Source, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357.

Publisher Copyright:
© 2020 American Chemical Society. All rights reserved.


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