Adsorption in Pyrene-Based Metal-Organic Frameworks: The Role of Pore Structure and Topology.

ABSTRACT: Pore topology and chemistry play crucial roles in the adsorption characteristics of metal-organic frameworks (MOFs). To deepen our understanding of the interactions between MOFs and CO₂ during this process, we systematically investigate the adsorption properties of a group of pyrene-based MOFs. These MOFs feature Zn(II) as the metal ion and employ a pyrene-based ligand, specifically 1,3,6,8-tetrakis(p-benzoic acid)pyrene (TBAPy). Including different additional ligands leads to frameworks with distinctive structural and chemical features. By comparing these structures, we could isolate the role that pore size, the presence of open-metal sites (OMS), metal-oxygen bridges, and framework charges play in the CO₂ adsorption of these MOFs. Frameworks with constricted

SUBMITTER: Pougin MJ 

PROVIDER: S-EPMC11261566 | biostudies-literature | 2024 Jul

REPOSITORIES: biostudies-literature