[Cu<sub>2</sub>(trz-ia)<sub>2</sub>]─An Ultramicroporous Cu<sub>2</sub> Paddle Wheel Triazolyl Isophthalate MOF: A Comparative Study of Its Properties in Dihydrogen Adsorption and Isotopologue Separation
Sibo Chetry, Prantik Sarkar, Volodymyr Bon, Muhammad Fernadi Lukman, Andreas Pöppl, Michael Hirscher, Stefan Kaskel, Harald Krautscheid
Abstract
High Resolution Image Download MS PowerPoint Slide A Cu 2 paddle wheel-based metal–organic framework, [Cu 2 (trz-ia) 2 ] (trz-ia 2– = 5-(4 H -1,2,4-triazol-4-yl) isophthalate), is investigated for hydrogen adsorption and hydrogen isotopologue separation. Its ultramicroporous structure with pore diameters ranging from 0.35 to 0.53 nm allows for strong interactions with dihydrogen molecules, resulting in steep H 2 uptake and heat of adsorption Q ads = 9.7 kJ mol –1 . Notably, the hydrogen density inside the pores is 43.9 g L –1 at 77 K and 100 kPa. Thermal desorption spectroscopy (TDS) after exposure to a H 2 /D 2 mixture indicates dihydrogen isotopologue separation with a selectivity of S = 6 at 30 K and a high uptake of D 2 . These findings are compared with numerous other metal–organic frameworks (MOFs) and related to their pore size.