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- W1977800172 abstract "Cu-paddle-wheel-based Cu 3 (BTC) 2 (nicknamed Cu-BTC, where BTC ≡ benzene 1,3,5-tricarboxylate) is a metal organic framework (MOF) compound that adopts a zeolite-like topology. We have determined the pore-size distribution using the Gelb and Gubbins technique, the microstructure using small-angle neutron scattering and (ultra) small-angle X-ray scattering (USAXSSAXS) techniques, and X-ray powder diffraction reference patterns for both dehydrated d -Cu-BTC [Cu 3 (C 9 H 3 O 6 ) 2 ] and hydrated h -Cu-BTC [Cu 3 (C 9 H 3 O 6 ) 2 (H 2 O) 6.96 ] using the Rietveld refinement technique. Both samples were confirmed to be cubic Fm $bar 3$ m (no. 225), with lattice parameters of a = 26.279 19(3) Å, V = 18 148.31(6) Å 3 for d -Cu-BTC, and a = 26.3103(11) Å, and V = 18 213(2) Å 3 for h -Cu-BTC. The structure of d -Cu-BTC contains three main pores of which the diameters are approximately, in decreasing order, 12.6, 10.6, and 5.0 Å. The free volume for d -Cu-BTC is approximately (71.85 ± 0.05)% of the total volume and is reduced to approximately (61.33 ± 0.03)% for the h -Cu-BTC structure. The d -Cu-BTC phase undergoes microstructural changes when exposed to moisture in air. The reference X-ray powder patterns for these two materials have been determined for inclusion in the Powder Diffraction File." @default.
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- W1977800172 date "2014-12-22" @default.
- W1977800172 modified "2023-10-10" @default.
- W1977800172 title "Reference diffraction patterns, microstructure, and pore-size distribution for the copper (II) benzene-1,3,5-tricarboxylate metal organic framework (Cu-BTC) compounds" @default.
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- W1977800172 doi "https://doi.org/10.1017/s0885715614001195" @default.
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