Concurrent Enhancement of Acetylene Uptake Capacity and Selectivity by Progressive Core Expansion and Extra‐Framework Anions in Pore‐Space‐Partitioned Metal–Organic Frameworks. Issue 13 (1st February 2023)

• Record Type: Journal Article
• Authors: Hong, Anh N.; Wang, Yanxiang; Chen, Yichong; Yang, Huajun; Kusumoputro, Emily; Bu, Xianhui; Feng, Pingyun
• Is Part Of: Chemistry. Volume 29:Issue 13(2023)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2023-02-01
• Subjects: acetylene storage -- cationic framework -- gas separation -- metal–organic framework; Chemistry -- Periodicals; 540
• DOI: 10.1002/chem.202203547
• Languages: English
• ISSNs: 0947-6539

Abstract

Abstract: A multi‐stage core‐expansion method is proposed here as one component of the integrative binding‐site/extender/core‐expansion (BEC ) strategy. The conceptual deconstruction of the partitioning ligand into three editable parts draws our focus onto progressive core expansion and allows the optimization of both acetylene uptake and selectivity. The effectiveness of this strategy is shown through a family of eight cationic pore‐partitioned materials containing three different partitioning ligands and various counter anions. The optimized structure, Co3 ‐cpt‐tph‐Cl (Hcpt=4‐(p‐carboxyphenyl)‐1, 2, 4‐triazole, H‐tph=(2, 5, 8‐tri‐(4‐pyridyl)‐1, 3, 4, 6, 7, 9‐hexaazaphenalene) with the largest surface area and highest C2 H2 uptake capacity (200 cm 3 /g at 298 K), also exhibits (desirably) the lowest CO2 uptake and hence the highest C2 H2 /CO2 selectivity. The successful boost in both C2 H2 capacity and IAST selectivity allows Co3 ‐cpt‐tph‐Cl to rank among the best crystalline porous materials, ionic MOFs in particular, for C2 H2 uptake and C2 H2 /CO2 experimental breakthrough separation. Abstract : Simultaneous Pore Space Partition and Multi‐Step Core Expansion : An integration of core‐expansion and pore‐space partition strategies leads to simultaneous increase in C2 H2 uptake capacity and C2 H2 /CO2 selectivity.