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.

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Bibliographic Details
Published in:Journal of the American Chemical Society 2010-05, Vol.132 (19), p.6654-6656
Main Authors: Lin, Jian-Bin, Zhang, Jie-Peng, Chen, Xiao-Ming
Format: Article
Language:English
Subjects:
Adsorption
Gases - chemistry
Models, Molecular
Molecular Conformation
Monte Carlo Method
Organometallic Compounds - chemistry
Polymers - chemistry
Porosity
Triazoles - chemistry
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Description
Summary: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.
ISSN:0002-7863
1520-5126
DOI:10.1021/ja1009635