Browsing by Author "Thornton, AW"

Now showing 1 - 2 of 2
  • No Thumbnail Available
    Item
    A flexible copper based microporous metal-organic framework displaying selective adsorption of hydrogen over nitrogen
    (Royal Society of Chemistry, 2011-04-01) Nadeem, MA; Thornton, AW; Hill, MR; Stride, JA
    A microporous metal-organic framework [Cu-3(ipO)(2)(pyz)(2)](n), (ipO = 2-hydroxyisophthalic acid, pyz = pyrazine) was synthesized via an in situ. ligand transformation reaction. The microporous framework displays helical arrays of ipo ligands holding the Cu atoms in 2D sheets, whilst the coordination of pyz molecules acts to arrange these sheets into a microporous 3D structure. Remarkable selective sorption behaviour (>5) for H-2 over N-2 is observed and explained with molecular dynamics simulations.© 2011, Royal Society of Chemistry.
  • No Thumbnail Available
    Item
    Ultramicroporous MOF with high concentration of vacant Cu 11 sites
    (American Chemical Society, 2015-07) McCormick, LJ; Duyker, SG; Thornton, AW; Hawes, CS; Hill, MR; Peterson, VK; Batten, SR; Turner, DR
    An ultramicroporous metal–organic framework (MOF) is reported that contains 0.35 nm nanotube-like channels with an unprecedented concentration of vacant CuII coordination sites. The nonintersecting, narrow channels in [Cu3(cdm)4] (cdm = C(CN)2(CONH2)−) align in two perpendicular directions, structurally resembling copper-doped carbon nanotubes with CuII embedded in the walls of the channels. The combination of ultramicroporosity with the exposed CuII coordination sites gives size-based selectivity of CO2 over CH4, based on pore-size distribution and modeling. Neutron powder diffraction and molecular dynamics simulations show the close packing of single rows of guests within the tubular nanostructure and interaction of CO2 with the exposed metal sites. © 2014, American Chemical Society.