Grzywa, Maciej Geßner, Christof Denysenko, Dmytro Bredenkötter, Björn Gschwind, Fabienne Fromm, Katharina M. Nitek, Wojciech Klemm, Elias Volkmer, Dirk 2013-04-24 The syntheses of H₂-phbpz, [Cu₂(phbpz)]·2DEF·MeOH (<strong>CFA-2</strong>) and [Ag₂(phbpz)] (<strong>CFA-3</strong>) (H₂-phbpz = 3,3′,5,5′-tetraphenyl-1<em>H</em>,1′<em>H</em>-4,4′-bipyrazole) compounds and their crystal structures are described. The Cu(I) containing metal–organic framework <strong>CFA-2</strong> crystallizes in the tetragonal crystal system, within space group <em>I</em>4₁/<em>a</em> (no. 88) and the following unit cell parameters: <em>a</em> = 30.835(14), <em>c</em> = 29.306(7) Å, <em>V</em> = 27 865(19) ų. <strong>CFA-2</strong> features a flexible 3-D three-connected two-fold interpenetrated porous structure constructed of triangular Cu(I) subunits. Upon exposure to different kinds of liquids (MeOH, EtOH, DMF, DEF) <strong>CFA-2</strong> shows pronounced breathing effects. <strong>CFA-3</strong> crystallizes in the monoclinic crystal system, within space group <em>P</em>2₁/<em>c</em> (no. 14) and the following unit cell parameters: <em>a</em> = 16.3399(3), <em>b</em> = 32.7506(4), <em>c</em> = 16.2624(3) Å, <em>β</em> = 107.382(2)°, <em>V</em> = 8305.3(2) ų. In contrast to the former compound, <strong>CFA-3</strong> features a layered 2-D three-connected structure constructed from triangular Ag(I) subunits. Both compounds are characterized by elemental and thermogravimetric analyses, single crystal structure analysis and X-ray powder diffraction, FTIR- and fluorescence spectroscopy. Preliminary results on oxygen activation in <strong>CFA-2</strong> are presented and potential improvements in terms of framework robustness and catalytic efficiency are discussed. application/pdf https://folia.unifr.ch/global/documents/302887 https://folia.unifr.ch/documents/302887/files/fro_cfa.pdf https://folia.unifr.ch/documents/302887/files/fro_cfa_sm1.txt https://folia.unifr.ch/documents/302887/files/fro_cfa_sm2.pdf eng info:eu-repo/semantics/altIdentifier/doi/10.1039/C3DT32302A info:eu-repo/semantics/openAccess License undefined Dalton Transactions. - 2013, vol. 42, no. 19, p. 6909–6921 info:eu-repo/classification/udc/54 <strong>CFA-2</strong> and <strong>CFA-3</strong> (Coordination Framework Augsburg University-2 and -3); novel MOFs assembled from trinuclear Cu(I)/Ag(I) secondary building units and 3,3′,5,5′-tetraphenyl-bipyrazolate ligands http://purl.org/coar/resource_type/c_6501