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6940514 
Journal Article 
Metal Organic Framework MIL-101(Cr): Spectroscopic Investigations to Reveal Iodine Capture Mechanism 
Al Lafi, AG; Assfour, B; Assaad, T; , 
2020 
Yes 
Journal of Inorganic and Organometallic Polymers and Materials
ISSN: 1574-1443
EISSN: 1574-1451 
SPRINGER 
DORDRECHT 
1218-1230 
WOS:000519955900018 
Molecular scale information is the key to understand adsorption mechanism and consequently, to aid in the design of improved adsorbent materials. This paper reports on the use of two-dimensional correlation Fourier transformation Infrared 2D-COS-FTIR, Raman spectroscopies and X-ray diffraction to provide information about the structure of MIL-101(Cr), and the mechanism of iodine adsorption from cyclohexane solution. X-ray diffraction analysis and structure simulation revealed the presence of three preferable adsorption sites; close to Cr-O clusters and on top of benzene rings. FTIR spectroscopy further confirmed the presence of three different type of interactions (Cr-H2O, H2O-I-2 and Cr-I-2), which were located at 2930, 2850 and 1117 cm(-1) respectively. The nature of iodine was identified as I3- from the characteristic peaks at around 106 cm(-1), 135 cm(-1) and 164 cm(-1) in Raman spectra. The results reflected the power of combined 2D-COS-FTIR with Raman spectroscopy and X-ray diffraction in determining the structure of such complex systems. Graphic