Journal of the American Chemical Society, Vol.132, No.19, 6654-6654, 2010
Nonclassical Active Site for Enhanced Gas Sorption in Porous Coordination Polymer
Gas sorption experiments and grand canonical Monte Carlo simulations for two isostructural microporous metal azolate frameworks show that even partially exposed uncoordinated nitrogens can effectively increase gas binding affinity and overcome the pore size confinement effect.