Syntheses, structures and Br2 uptake of Cu(I)-bipyrazole frameworks

A novel metal-organic framework [CuCN(TMBP)·H 2 O] n ( TCuCN ) has been synthesized by the reaction of 3,3′,5,5′-tetramethyl-4,4′-bipyrazole (TMBP) and CuCN. Its structure was determined by single-crystal X-ray diffraction (SCXRD) analysis and further characterized by power X-ray diffraction (PXRD) analysis, FT-IR spectroscopy and thermogravimetric (TG) analysis. Previously reported structurally analogous TCuCl , TCuBr , TCuI have also been synthesized for Br 2 adsorption comparison. All of these four MOFs exhibited reversible uptake of Br 2 vapor judging by the unchanged PXRD patterns . Among four MOFs, Br 2 -loaded TCuI showed the most uptake amount of Br 2 (15.7 ​wt%), providing the formula to be TCuI ·0.33Br 2 . The different uptake amount of Br 2 for TCuX (X ​= ​CN, Cl, Br, I) should be mainly ascribed to the intermolecular interaction between CuX and Br 2 .