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Extreme Carbon Dioxide Sorption Hysteresis in Open‐Channel Rigid Metal–Organic Frameworks
Author(s) -
Bezuidenhout Charl X.,
Smith Vincent J.,
Bhatt Prashant M.,
Esterhuysen Catharine,
Barbour Leonard J.
Publication year - 2015
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201408933
Subject(s) - sorption , sorbent , microporous material , metal organic framework , thermogravimetric analysis , hysteresis , materials science , supercritical fluid , chemical engineering , linker , diffraction , adsorption , chemistry , organic chemistry , computer science , composite material , physics , quantum mechanics , optics , engineering , operating system
A systematic study is presented of three closely related microporous metal‐organic frameworks the pore dimensions of which vary according to the choice of 4,4′‐bipyridyl linker. The tunable linker allows exploration of the effect of increasing pore dimensions on the sorption behavior of the frameworks. The MOFs described capture CO 2 under supercritical conditions and continue to sequester the gas under ambient conditions. Gas sorption isotherms for CO 2 are compared with thermogravimetric data, and the CO 2 molecules in the channels of the frameworks could be modeled using single‐crystal X‐ray diffraction analysis. Crystallographic data were used to construct a theoretical model based on DFT methods to calculate framework electrostatic potential maps with a view to understanding the nature of the sorbate–sorbent interactions.