TY - JOUR
T1 - Isomerization and Selective Hydrogenation of Propyne
T2 - Screening of Metal-Organic Frameworks Modified by Atomic Layer Deposition
AU - Hackler, Ryan A.
AU - Pandharkar, Riddhish
AU - Ferrandon, Magali S.
AU - Kim, In Soo
AU - Vermeulen, Nicolaas A.
AU - Gallington, Leighanne C.
AU - Chapman, Karena W.
AU - Farha, Omar K.
AU - Cramer, Christopher J.
AU - Sauer, Joachim
AU - Gagliardi, Laura
AU - Martinson, Alex B.F.
AU - Delferro, Massimiliano
N1 - Publisher Copyright:
© 2020 American Chemical Society. All rights reserved.
PY - 2020/12/2
Y1 - 2020/12/2
N2 - 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.
AB - 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.
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U2 - 10.1021/jacs.0c08641
DO - 10.1021/jacs.0c08641
M3 - Article
C2 - 33201702
AN - SCOPUS:85096518063
SN - 0002-7863
VL - 142
SP - 20380
EP - 20389
JO - Journal of the American Chemical Society
JF - Journal of the American Chemical Society
IS - 48
ER -