Enhanced gas sorption properties of a new sulfone functionalized aluminum metal-organic framework: Synthesis, characterization, and DFT studies

Duraisamy Senthil Raja, I. Hsin Chang, Yue Chun Jiang, Hsin Tsung Chen*, Chia Her Lin

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

14 Citations (Scopus)

Abstract

A new sulfone-functionalized analogue of DUT-5 ([Al(OH) (BPDC)], BPDC = 4,4'-biphenyldicarboxylate) microporous metal-organic framework,[Al(OH) (SBPDC)] (1) (H2SBPDC = 2,2'-sulfone-4,4'-biphenyldicarboxylate), has been synthesized in order to achieve better gas sorption properties over DUT-5. The compound was characterized by powder X-ray diffraction (PXRD), scanning electron microscopy, variable temperature PXRD, thermogravimetric analysis, FT-IR spectroscopy, NMR spectroscopy and gas adsorption measurements. The new MOF forms a 3D porous framework containing 1D inorganic chains which are formed by corner-sharing octahedral AlO6 connected through SBPDC linkers. As determined by gas sorption measurements, the compound 1 exhibits high porosity with the H2 uptake capacity of 8.58 mmol g-1 at 77 K (1 atm) and CO2 uptake of 2.51 mmol g-1 at 298 K (1 atm) or 4.40 mmol g-1 at 273 K (1 atm). The gas sorption experimental results suggested that compound 1 with sulfone functionalized ligand showed higher CO2 and H2 gas uptake than that of isoreticular MOF, DUT-5. The CO2 gas sorption behavior of 1 and DUT-5 has been analyzed with the aid of DFT studies which explained that the sulfone group can enhance the efficiency of CO2 uptake.

Original languageEnglish
Pages (from-to)20-26
Number of pages7
JournalMicroporous and Mesoporous Materials
Volume216
DOIs
Publication statusPublished - 2015 Jul 29
Externally publishedYes

Keywords

  • CO uptake
  • Density functional theory
  • H gas sorption
  • Metal-organic framework (MOF)
  • Sulfone functionalization

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials

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