An interpenetrated metal-organic framework and its gas storage behavior:simulation and experiment

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Erscheinungsjahr:
2011
Medientyp:
Text
Schlagworte:
  • Ligands
  • Organometallics
  • Secondary building
  • Crystal Structure
  • Ligands
  • Organometallics
  • Secondary building
  • Crystal Structure
Beschreibung:
  • A new metal-organic framework, called UHM-6 (UHM: University of Hamburg Materials), based on the copper paddle wheel motif and a novel organosilicon linker, 4′,4″-(dimethylsilanediyl)bis(biphenyl-3,5-dicarboxylic acid) (sbbip), has been synthesized and characterized with regard to its gas storage behavior up to 1 bar for hydrogen, methane, and carbon dioxide. The 2-fold interpenetrated microporous framework of UHM-6 is isoreticular to PMOF-3 (Inorg. Chem.2009, 48, 11507) and is composed of cuboctahedral cages of Cu 2 paddle wheels connected via nonlinear organosilicon units. The structure (SG I422, No. 97) is characterized by straight channels running along the [001] and [110] direction. UHM-6 reveals a specific surface area of S BET ∼ 1200 m2 g-1 and a specific micropore volume of Vmicropore ∼ 0.48 cm3 g-1. At 1 bar the activated form of UHM-6 shows a hydrogen uptake of 1.8 wt % (77 K), a methane uptake of 0.8 mmol g-1 (293 K), and a carbon dioxide uptake of 3.3 mmol g-1 (273 K). Accompanying theoretical grand-canonical Monte Carlo (GCMC) simulations show an overall good agreement with the experimental results. Furthermore, GCMC adsorption simulations for three binary equimolar mixtures (CH4/H2, CO2/H2, and CO2/CH4) were carried out (T = 298 K) to assess the potential for gas separation/purification applications. © 2011 American Chemical Society.
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  • info:eu-repo/semantics/closedAccess
Quellsystem:
Forschungsinformationssystem der UHH
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oai:www.edit.fis.uni-hamburg.de:publications/9a9002b2-2853-4f97-ab7e-626d35d2be6b