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CO 2 Captured in Zeolitic Imidazolate Frameworks: Raman Spectroscopic Analysis of Uptake and Host–Guest Interactions
Author(s) -
Kontos Athanassios G.,
Likodimos Vlassis,
Veziri Charitomeni M.,
Kouvelos Evangelos,
Moustakas Nikolaos,
Karanikolos Georgios N.,
Romanos George Em.,
Falaras Polycarpos
Publication year - 2014
Publication title -
chemsuschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.412
H-Index - 157
eISSN - 1864-564X
pISSN - 1864-5631
DOI - 10.1002/cssc.201301323
Subject(s) - zeolitic imidazolate framework , raman spectroscopy , imidazolate , metal organic framework , sorption , chemistry , moiety , materials science , crystallography , chemical physics , inorganic chemistry , stereochemistry , adsorption , physics , optics
Abstract Zeolitic imidazolate frameworks (ZIFs) exhibit enhanced selectivity and increased CO 2 uptake due to the incorporation of functional imidazolate units in their structure as well as their extensive porosity and ring flexibility. In situ Raman investigation of a representative host compound, ZIF‐69, in practical CO 2 pressure and temperature regimes (0–10 bar and 0–64 °C) correlates well with corresponding macroscopic CO 2 sorption data and shows clear clear spectroscopic evidence of CO 2 uptake. Significant positive shift of the 159 cm −1 phenyl bending mode of the benzimidazole moiety indicates weak hydrogen bonding with CO 2 in the larger cavities of the ZIF matrix. Raman spectroscopy is shown to be an easy and sensitive tool for quantifying CO 2 uptake, identifying weak host–guest interactions and elucidating CO 2 sorption mechanism in ZIFs.