Stepwise Synthesis of Cl-Decorated Trinuclear-Cu Cluster-Based Frameworks for C₂H₂/C₂H₄ and C₂H₂/CO₂ Separation

Area of Science:

• Materials Science
• Chemistry

Background:

• Metal-organic frameworks (MOFs) offer tunable properties for gas adsorption and separation.
• Developing efficient synthesis strategies is crucial for designing advanced MOF materials.
• Understanding the role of specific functional groups, like chloride ions, can optimize MOF performance.

Purpose of the Study:

• To synthesize a novel Cl-decorated trinuclear-Cu cluster-based MOF, NbU-7-Cl.
• To investigate the impact of chloride ion incorporation on the MOF structure and properties.
• To evaluate the gas adsorption and separation performance of the activated NbU-7-Cl.

Main Methods:

• Stepwise synthesis strategy combining cationic templates and single-crystal-to-single-crystal transformation.
• Characterization of the synthesized MOF structure and properties.
• Gas adsorption and breakthrough experiments to assess C2H2 uptake and C2H2/C2H4 and C2H2/CO2 separation.

Main Results:

• Successful synthesis of NbU-7-Cl with chloride ions decorating trinuclear Cu cluster nodes.
• Chloride ion incorporation altered MOF symmetry and adsorption energy.
• Activated NbU-7-Cl exhibited enhanced acetylene (C2H2) uptake capacity.
• Demonstrated improved separation performance for C2H2/C2H4 and C2H2/CO2 mixtures.

Conclusions:

• The stepwise synthesis strategy is effective for designing and modifying multifunctional MOFs.
• Chloride ion decoration in NbU-7-Cl positively influences its gas adsorption and separation capabilities.
• NbU-7-Cl shows promise as an efficient material for acetylene separation applications.