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Abstract The two Ce IV MOFs Ce 6 O 4 (OH) 4 (TzTz) 6 (CeTzTz) and Ce 6 O 4 (OH) 4 (TzTz) 4 (PyPy) 2 (CeTzTzPyPy ; H 2 TzTz = 2, 2′‐bithiazole‐5, 5′‐dicarboxylic acid, H 2 PyPy = 2, 2′‐bipyridine‐5, 5′‐dicarboxylic acid) are prepared starting from a pre‐formed Ce 6 glycinate‐capped cluster. N 2 isotherms collected at 77 K revealed BET specific surface areas of 1136 and 238 m 2 g −1, respectively. Their CO 2 and N 2 O adsorption capacity is assessed at T = 273 and 298 K and p = 1 bar. CeTzTz shows the highest gas uptake (7. 9 and 9. 7 wt% at 298 K and 11. 5 and 12. 5 wt% at 273 K for CO 2 and N 2 O, respectively). More interestingly, this homo‐linker MOF possesses a higher capacity, thermodynamic affinity (Q st) CO2 = 18. 2 kJ mol −1 vs (Q st) N2O = 25. 4 kJ mol −1 and selectivity (IAST S N2O/CO2 = 1. 6 at T = 273 K) toward N 2 O than the mixed‐linker sample. At variance, CeTzTzPyPy shows a slightly higher capacity, thermodinamic affinity (Q st) CO2 = 29. 5 kJ mol −1 vs (Q st) N2O = 26. 4 kJ mol −1 and selectivity (IAST S CO2/N2O = 1. 4 at T = 298 K) toward CO 2. DFT optimizations carried out on the N 2 O@ CeTzTz and CO 2 @ CeTzTzPyPy systems revealed that the primary adsorption sites are the cerium ions of the Ce6 metallic node for N2O and the thiazole N‐atoms on the TzTz linker for CO2, respectively.
Pugliesi et al. (Fri,) studied this question.