Nonclassical Active Site for Enhanced Gas Sorption in Porous Coordination Polymer

• Published in: Journal of the American Chemical Society Vol. 132; no. 19; pp. 6654 - 6656
• Main Authors: Lin, Jian-Bin, Zhang, Jie-Peng, Chen, Xiao-Ming
• Format: Journal Article
• Language: English
• Published: WASHINGTON American Chemical Society 19.05.2010; Amer Chemical Soc
• Subjects: Adsorption; Chemistry; Chemistry, Multidisciplinary; Gases - chemistry; Models, Molecular; Molecular Conformation; Monte Carlo Method; Organometallic Compounds - chemistry; Physical Sciences; Polymers - chemistry; Porosity; Science & Technology; Triazoles - chemistry; STORAGE; CO2; METAL-ORGANIC FRAMEWORK; HYDROGEN ADSORPTION; H-2 ADSORPTION; IMIDAZOLATE; SEPARATION; HIGH-CAPACITY; CARBON-DIOXIDE; MICROPORES

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.