Crystal Engineering of an nbo Topology Metal–Organic Framework for Chemical Fixation of CO2 under Ambient Conditions


  • We acknowledge the University of South Florida for financial support of this work. The crystal diffraction of MMCF-2 was carried out at the Advanced Photo Source on beamline 15ID-B of ChemMatCARS Sector 12 (NSF/CHE-0822838, DE-AC02-06CH11357).


Crystal engineering of the nbo metal–organic framework (MOF) platform MOF-505 with a custom-designed azamacrocycle ligand (1,4,7,10-tetrazazcyclododecane-N,N′,N′′,N′′′-tetra-p-methylbenzoic acid) leads to a high density of well-oriented Lewis active sites within the cuboctahedral cage in MMCF-2, [Cu2(Cu-tactmb)(H2O)3(NO3)2]. This MOF demonstrates high catalytic activity for the chemical fixation of CO2 into cyclic carbonates at room temperature under 1 atm pressure.