[Al2(OH)2(TCPB)] – An Al-MOF based on a tetratopic linker molecule

摘要: Abstract High-throughput methods were employed in the discovery and synthesis optimization of new microcrystalline metal-organic framework (MOF) [Al2(OH)2(TCPB)] · 2 DMF (denoted CAU-9as), which contains tetratopic linker ion 1,2,4,5-tetrakis-(4-carboxylatophenyl)-benzene (TCPB4−). The compound is obtained under solvothermal reaction conditions activation at 150 °C leads to removal guest molecules (CAU-9act). Detailed characterization was carried out by FT-IR NMR spectroscopy, thermogravimetric analysis, gas sorption measurements X-ray powder diffraction. CAU-9act crystallizes an orthorhombic unit cell (space group Cmmm) with parameters: a = 31.562(4), b = 6.642(7), c = 10.6612(7) A. Modeling force field calculations combination Rietveld refinement used determine structure CAU-9. content asymmetric corroborated based on crystallographic strategies evaluating high-resolution 1H, 13C 27Al MAS spectra. CAU-9 isoreticular one MIL-118B [Al2(OH)2(BTEC)] (BTEC = 1,2,4,5-benzenetetracarboxylate) Al-PMOF [Al2(OH)2(TCPP)] (TCPP = meso-tetra(4-carboxylato-phenyl)porphyrin). According temperature dependent PXRD it stable up 480 °C air. nitrogen measurement 77 K has given a Brunauer–Emmett–Teller (BET) surface area 1118 m2 g−1 micropore volume 0.45 cm3 g−1. In contrast MIL-118 no rearrangement carboxylate groups from mono-to bidentate coordination mode observed upon activation.