Two new alkaline earth metal-organic frameworks (AE-MOFs) containing Sr(II) (UPJS-15) or Ba(II) (UPJS-16) cations and extended tetrahedral linker (MTA) were synthesized and characterized in detail (UPJS stands for University of Pavol Jozef Safarik). Single-crystal X-ray analysis (SC-XRD) revealed that the materials are isostructural and, in their frameworks, one-dimensional channels are present with the size of ~11 × 10 Å2. The activation process of the compounds was studied by the combination of in situ heating infrared spectroscopy (IR), thermal analysis (TA) and in situ high-energy powder X-ray diffraction (HE-PXRD), which confirmed the stability of compounds after desolvation. The prepared compounds were investigated as adsorbents of different gases (Ar, N2, CO2, and H2). Nitrogen and argon adsorption measurements showed that UPJS-15 has SBET area of 1321 m2 g-1 (Ar) / 1250 m2 g-1 (N2), and UPJS-16 does not adsorb mentioned gases. From the environmental application, the materials were studied as CO2 adsorbents, and both compounds adsorb CO2 with a maximum capacity of 22.4 wt.% @ 0 °C; 14.7 wt.% @ 20 °C and 101 kPa for UPJS-15 and 11.5 wt.% @ 0°C; 8.4 wt.% @ 20 °C and 101 kPa for UPJS-16. According to IAST calculations, UPJS-16 shows high selectivity (50 for CO2/N2 10:90 mixture and 455 for CO2/N2 50:50 mixture) and can be applied as CO2 adsorbent from the atmosphere even at low pressures. The increased affinity of materials for CO2 was also studied by DFT modelling, which revealed that the primary adsorption sites are coordinatively unsaturated sites on metal ions, azo bonds, and phenyl rings within the MTA linker. Regarding energy storage, the materials were studied as hydrogen adsorbents, but the materials showed low H2 adsorption properties: 0.19 wt.% for UPJS-15 and 0.04 wt.% for UPJS-16 @ -196 °C and 101 kPa. The enhanced CO2/H2 selectivity could be used to scavenge carbon dioxide from hydrogen in WGS and DSR reactions. The second method of applying samples in the area of energy storage was the use of UPJS-15 as an additive in a lithium-sulfur battery. Cyclic performance at a cycling rate of 0.2 C showed an initial discharge capacity of 337 mAh g-1, which decreased smoothly to 235 mAh g-1 after 100 charge/discharge cycles.

Centre National de la Recherche Scientifique Centre de Saint Jérôme Aix Marseille University Avenue Escadrille Normandie Niemen F 133 97 Marseille France

Department of Chemistry Faculty of Science University of Ostrava 30 Dubna 22 CZ 702 00 Ostrava Czech Republic

Department of Electrical and Electronic Technology Faculty of Electrical Engineering and Communication Brno University of Technology Technická 10 CZ 616 00 Brno Czech Republic

Department of Inorganic Chemistry Faculty of Science Charles University Albertov 8 CZ 128 43 Prague Czech Republic

Department of Inorganic Chemistry Faculty of Science Pavol Jozef Šafárik University in Košice Moyzesova 11 SK 041 54 Košice Slovakia

Department of Physical Chemistry Faculty of Sciences Pavol Jozef Šafárik University in Košice Moyzesova 11 SK 041 54 Košice Slovakia

Department of Physics Faculty of Science Pavol Jozef Šafárik University in Košice Park Angelinum 9 SK 041 01 Košice Slovakia

Department of Physics School of Engineering and Technology Central University of Haryana Mahendergarh 123031 India

Institute of Experimental Physics Slovak Academy of Sciences Watsonova 47 SK 040 01 Košice Slovakia

Laboratory of Adsorption and Catalysis University of Antwerp Universiteitsplein 1 B 2610 Wilrijk Belgium

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