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Isomerization and Selective Hydrogenation of Propyne: Screening of Metal–Organic Frameworks Modified by Atomic Layer Deposition
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2020-11-17 , DOI: 10.1021/jacs.0c08641 Ryan A Hackler , Riddhish Pandharkar 1 , Magali S Ferrandon , In Soo Kim 2 , Nicolaas A Vermeulen 3 , Leighanne C Gallington , Karena W Chapman 4 , Omar K Farha 3 , Christopher J Cramer 1 , Joachim Sauer 5 , Laura Gagliardi 1 , Alex B F Martinson , Massimiliano Delferro
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2020-11-17 , DOI: 10.1021/jacs.0c08641 Ryan A Hackler , Riddhish Pandharkar 1 , Magali S Ferrandon , In Soo Kim 2 , Nicolaas A Vermeulen 3 , Leighanne C Gallington , Karena W Chapman 4 , Omar K Farha 3 , Christopher J Cramer 1 , Joachim Sauer 5 , Laura Gagliardi 1 , Alex B F Martinson , Massimiliano Delferro
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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.
中文翻译：
丙炔的异构化和选择性加氢：原子层沉积改性金属有机骨架的筛选
8个原子以上的各种金属氧化物簇（Cu、Cd、Co、Fe、Ga、Mn、Mo、Ni、Sn、W、Zn、In和Al）被纳入金属有机骨架（MOF）的孔中NU-1000 通过原子层沉积 (ALD) 进行，并通过高通量筛选进行测试，用于丙炔的催化异构化和选择性氢化。发现 Cu 和 Co 对于丙炔加氢生成丙烯最为活跃，并且 Co 和 Zn 的协同双金属组合以及单独的 Zn 和 Cd 被确定为对于转化为异构化产物丙二烯最为活跃。与单独的组分相比，NU-1000 中 Co 和 Zn 的组合降低了完全氢化为丙烷以及焦化的倾向。这项研究强调了高通量筛选的潜力，以调查最能影响小分子有效转化的单金属和双金属簇组合，同时辨别不同金属异构化和氢化的机制差异。
更新日期：2020-11-17
中文翻译：
丙炔的异构化和选择性加氢：原子层沉积改性金属有机骨架的筛选
8个原子以上的各种金属氧化物簇（Cu、Cd、Co、Fe、Ga、Mn、Mo、Ni、Sn、W、Zn、In和Al）被纳入金属有机骨架（MOF）的孔中NU-1000 通过原子层沉积 (ALD) 进行，并通过高通量筛选进行测试，用于丙炔的催化异构化和选择性氢化。发现 Cu 和 Co 对于丙炔加氢生成丙烯最为活跃，并且 Co 和 Zn 的协同双金属组合以及单独的 Zn 和 Cd 被确定为对于转化为异构化产物丙二烯最为活跃。与单独的组分相比，NU-1000 中 Co 和 Zn 的组合降低了完全氢化为丙烷以及焦化的倾向。这项研究强调了高通量筛选的潜力，以调查最能影响小分子有效转化的单金属和双金属簇组合，同时辨别不同金属异构化和氢化的机制差异。
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