摘要
A new rigid metal-organic framework (MOF) with MIL-53 topology built of 2,5-thiophenedicarboxylate (TDC) and Al, Ga, or In is reported. Its structure contains chains of trans corner sharing MO 6 octahedra, connected by the linker molecules to form microporous square shaped 1D channels. A combination of powder X-ray diffraction (PXRD), density functional theory (DFT) calculations, and 1 H, 13 C, and 27 Al solid-state NMR spectroscopy (ssNMR) was used to analyse the structures in detail. The synthesis is easily scaled-up using microwave assisted solvothermal conditions. All materials possess a high thermal stability up to 420 °C in air and permanent porosity towards N 2 , H 2 , CO 2 , and CH 4 . Al-MIL-53-TDC shows a high specific surface area of a s,BET = 1150 m 2 ·g –1 with a micropore volume of V mic = 0.48 cm 3 ·g –1 as well as water uptake of 5.5H 2 O molecules per sum formula (469 mg·g –1 ) with an a sigmoidal shape, advantageous for heat-transformation processes. Noteworthy, this material adsorbs 2.1 wt % H 2 at –196 °C and 1 bar, which surpasses other Al-MIL-53 compounds based on linear functionalized terephthalates.