Post-synthetic structural processing in a metal-organic framework material as a mechanism for exceptional CO2/N2 selectivity

J Am Chem Soc. 2013 Jul 17;135(28):10441-8. doi: 10.1021/ja4032049. Epub 2013 Jul 2.

Abstract

Here we report the synthesis and ceramic-like processing of a new metal-organic framework (MOF) material, [Cu(bcppm)H2O], that shows exceptionally selective separation for CO2 over N2 (ideal adsorbed solution theory, S(ads) = 590). [Cu(bcppm)H2O]·xS was synthesized in 82% yield by reaction of Cu(NO3)2·2.5H2O with the link bis(4-(4-carboxyphenyl)-1H-pyrazolyl)methane (H2bcppm) and shown to have a two-dimensional 4(4)-connected structure with an eclipsed arrangement of the layers. Activation of [Cu(bcppm)H2O] generates a pore-constricted version of the material through concomitant trellis-type pore narrowing (b-axis expansion and c-axis contraction) and a 2D-to-3D transformation (a-axis contraction) to give the adsorbing form, [Cu(bcppm)H2O]-ac. The pore contraction process and 2D-to-3D transformation were probed by single-crystal and powder X-ray diffraction experiments. The 3D network and shorter hydrogen-bonding contacts do not allow [Cu(bcppm)H2O]-ac to expand under gas loading across the pressure ranges examined or following re-solvation. This exceptional separation performance is associated with a moderate adsorption enthalpy and therefore an expected low energy cost for regeneration.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Carbon Dioxide / isolation & purification*
  • Copper / chemistry
  • Crystallography, X-Ray
  • Models, Molecular
  • Molecular Structure
  • Nitrogen / isolation & purification*
  • Organometallic Compounds / chemical synthesis*
  • Organometallic Compounds / chemistry*

Substances

  • Organometallic Compounds
  • Carbon Dioxide
  • Copper
  • Nitrogen