SIFSIX-2-Cu-i

Application: 1) Gas adsorption (e.g. CO2, SO2)
2) Gas Separation (ethane/ethylene)

• Catalog: OFC1428136871
• CAS: 1428136-87-1
• Category: Fluorinated Metal-organic Frameworks (MOFs)
• Synonyms: [Cu(dpa)2SiF6-i]

• Unit Molecular Formula: C24H8N4F6SiCu
• Unit Molecular Weight: 557.97
• Coordination Metal: Cu
• Linkers: 1,2-bis(4-pyridyl)ethyne
• Particle Size: Irregular bulk particles
• Appearance: Grey purple Powders
• Storage: 1) Keep sealed in dry and cool condition; 2) It is recommended to activate 12 hours at room temperature in vacuum
• Stability: 1) SIFSIX-2-Cu-i is stable in air and aqueous solution for weeks; 2) Thermal decomposition temperature above 300 ° C
• Pore Size: 0.5 nm
• Pore Volume: 0.2 cm3/g

• Coordination Metal: Cu
• Linkers: 1,2-bis(4-pyridyl)ethyne

Case Study

SIFSIX-2-Cu-i for High-Selectivity H₂/N₂ Adsorptive Separation

Zhang H, et al. International Journal of Hydrogen Energy, 2023, 48(67), 26251-26259.

SIFSIX-2-Cu-i, a metal-organic framework (MOF), demonstrates promising potential for hydrogen recovery from ammonia purge gas through selective H₂/N₂ adsorption. Investigations utilizing Grand Canonical Monte Carlo (GCMC) simulations, Ab Initio Molecular Dynamics (AIMD), and Density Functional Theory (DFT) calculations reveal its preferential adsorption of N₂ over H₂. The high selectivity is attributed to the strong induction interactions between fluorine atoms (F₂) in the framework and N₂ molecules, leading to enhanced affinity. Structural analysis identifies two distinct adsorption sites within the MOF, contributing to its separation efficiency. The insights gained from this study provide a fundamental understanding of gas adsorption mechanisms in SIFSIX-2-Cu-i and offer guidance for designing advanced MOF-based adsorbents with improved selectivity for hydrogen purification and gas separation applications.