In situ Synchrotron IR Microspectroscopy of CO2 Adsorption on Single Crystals of the Functionalized MOF Sc2(BDC‐NH2)31. Issue 49 (7th November 2014)

• Record Type: Journal Article
• Authors: Greenaway, Alex; Gonzalez‐Santiago, Berenice; Donaldson, Paul M.; Frogley, Mark D.; Cinque, Gianfelice; Sotelo, Jorge; Moggach, Stephen; Shiko, Elenica; Brandani, Stefano; Howe, Russell F.; Wright, Paul A.
• Is Part Of: Angewandte Chemie international edition. Volume 53:Issue 49(2014)
• Page Start: 13483
• Page End: 13487
• Publication Date: 2014-11-07
• Subjects: Chemistry -- Periodicals; 540
• DOI: 10.1002/anie.201408369
• Languages: English
• ISSNs: 1433-7851

Abstract

<abstract abstract-type="main" xml:lang="en"> <title>Abstract</title> <p>Synchrotron radiation (SR) IR microspectroscopy has enabled determination of the thermodynamics, kinetics, and molecular orientation of CO₂ adsorbed in single microcrystals of a functionalized metal–organic framework (MOF) under conditions relevant to carbon capture from flue gases. Single crystals of the small‐pore MOF, Sc₂(BDC‐NH₂)₃, (BDC‐NH₂=2‐amino‐1, 4‐benzenedicarboxylate), with well‐defined crystal form have been investigated during CO₂ uptake at partial pressures of 0.025‐0.2 bar at 298–373 K. The enthalpy and diffusivity of adsorption determined from individual single crystals are consistent with values obtained from measurements on bulk samples. The brilliant SR IR source permits rapid collection of polarized spectra. Strong variations in absorbance of the symmetric stretch of the NH₂ groups of the MOF and the asymmetric stretch of the adsorbed CO₂ at different orientations of the crystals relative to the polarized IR light show that CO₂ molecules align along channels in the MOF.</p> </abstract>