title: Nonclassical active site for enhanced gas sorption in porous coordination polymer.
abstract: 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.
authors.affiliation: MOE Key Laboratory of Bioinorganic and Synthetic Chemistry, State Key Laboratory of Optoelectronic Materials and Technologies, School of Chemistry and Chemical Engineering, Sun Yat-Sen University, Guangzhou 510275, China.
authors.forename: Jian-Bin
authors.initials: JB
authors.lastname: Lin
authors.forename: Jie-Peng
authors.initials: JP
authors.lastname: Zhang
authors.forename: Xiao-Ming
authors.initials: XM
authors.lastname: Chen
mesh_terms: D000327:Adsorption; D005740:Gases / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D009010:Monte Carlo Method; D009942:Organometallic Compounds / Q000737:chemistry; D011108:Polymers / Q000737:chemistry*; D016062:Porosity; D014230:Triazoles / Q000737:chemistry
chemical_list: D005740:Gases; D009942:Organometallic Compounds; D011108:Polymers; D014230:Triazoles