Synthesis, Structure and Characterization of a 3D Chiral Barium Carboxylate Metal-organic Framework

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A novel alkaline earth-based chiral metal-organic framework 1 {[Ba_(1.5)L(μ-OH_2)_2(DMF)_2(H_2O)]·DMF·1.5 H_2O}_n was synthesized from C2-symmetric TADDOL-based ligand H_4L and structurally characterized by single-crystal and powder X-ray diffraction, Fourier-transform infrared spectra(FTIR), solid-state circular dichroism(CD) and thermal gravimetric analysis(TGA). 1 crystallizes in monoclinic space group C2 with a = 43.5105(12), b = 9.4781(3), c = 15.5620(4) ?, β = 99.7770(10)o, V = 6324.5(3) ?~3, Z = 2, M_r = 1434.18 g/mol, D_c = 1.506 g/cm~3, F(000) = 2904, GOOF = 1.026, the final R = 0.0358 and w R = 0.0952 for 21747 observed reflections with I > 2σ(I). Each Ba3 cluster in 1 is linked by eight ligands and each ligand with one coordination-free carboxyl oxygen, O(5), is coordinated to four Ba_3 clusters to generate a 3D network. In addition, the photoluminescence of 1 and H_4L was also investigated. A novel alkaline earth-based chiral metal-organic framework 1 {[Ba_ (1.5) L (μ-OH_2) _2 (DMF) _2 (H_2O)] · DMF · 1.5H_2O} _n was synthesized from C2-symmetric TADDOL-based ligand H_4L and structurally characterized by single-crystal and powder X-ray diffraction, Fourier-transform infrared spectra (FTIR), solid-state circular dichroism (CD) and thermal gravimetric analysis (TGA). 1 crystallizes in monoclinic space group C2 with a = Β = 99.7770 (10) o, V = 6324.5 (3)? ~ 3, Z = 2, M_r = 1434.18 g / mol, D_c = 1.506 g / cm ~ 3, F (000) = 2904, GOOF = 1.026, the final R = 0.0358 and w R = 0.0952 for 21747 observed reflections with I> 2σ (I). Each Ba3 cluster in 1 is linked by eight ligands and each ligand with one coordination-free carboxyl oxygen, O (5), are coordinated to four Ba_3 clusters to generate a 3D network.
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