Experimental and computational approach of understanding the gas adsorption in amino functionalized interpenetrated metal organic frameworks (MOFs)

Two isostructural, three dimensional, interpenetrated, amino (–NH2) functionalized Metal Organic Frameworks [Cd(ANIC)2] (Cd-ANIC-1) and [Co(ANIC)2] (Co-ANIC-1) with amine-lined pores have been reported. The framework adopts dia topology with interpenetration. Cd-ANIC-1 and Co-ANIC-1 show high CO2 (273 K) and H2 (77 K) uptake due to the presence of free –NH2 groups and framework interpenetration. The effect of interpenetration and amino functionalization on gas uptake properties of MOFs has been analysed experimentally and computationally, in the isostructural MOFs Cd-ANIC-1 and Co-ANIC-1.