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

Abstract

Two isostructural, three dimensional, interpenetrated, amino (-NH 2) 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. © 2011 The Royal Society of Chemistry.