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Reference Diffraction Patterns, Microstructure, and Pore-Size Distribution for the Copper (II) Benzene-1,3,5-Tricarboxylate Metal Organic Framework (Cu-BTC) Compounds
Powder Diffraction
  • L. Li, Boise State University
  • I. Williamson, Boise State University
Document Type
Article
Publication Date
3-1-2015
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Abstract

Cu-paddle-wheel-based Cu3(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 (USAXS\SAXS) techniques, and X-ray powder diffraction reference patterns for both dehydrated d-Cu-BTC [Cu3(C9H3O6)2] and hydrated h-Cu-BTC [Cu3(C9H3O6)2(H2O)6.96] using the Rietveld refinement technique. Both samples were confirmed to be cubic (no. 225), with lattice parameters of a = 26.279 19(3) Å, V = 18 148.31(6) Å3 for d-Cu-BTC, and a = 26.3103(11) Å, and V = 18 213(2) Å3 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.

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Copyright Statement

This document was originally published by Cambridge University Press in Powder Diffraction. Copyright restrictions may apply. doi: 10.1017/S0885715614001195

Citation Information
L. Li and I. Williamson. "Reference Diffraction Patterns, Microstructure, and Pore-Size Distribution for the Copper (II) Benzene-1,3,5-Tricarboxylate Metal Organic Framework (Cu-BTC) Compounds" Powder Diffraction (2015)
Available at: http://works.bepress.com/lan_li/19/