In situ Synchrotron IR Microspectroscopy of CO2 Adsorption on Single Crystals of the Functionalized MOF Sc2(BDC‐NH2)3 |
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| Authors: | Dr. Alex Greenaway Berenice Gonzalez‐Santiago Dr. Paul M. Donaldson Dr. Mark D. Frogley Dr. Gianfelice Cinque Jorge Sotelo Dr. Stephen Moggach Elenica Shiko Prof. Stefano Brandani Prof. Russell F. Howe Prof. Paul A. Wright |
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| Affiliation: | 1. EaStCHEM School of Chemistry, Purdie Building, St Andrews, KY16 9ST (UK);2. Diamond Light Source, Harwell Science and Innovation Campus, Didcot, OX11 0DE (UK);3. EaStCHEM School of Chemistry, Joseph Black Building, West Mains Road, Edinburgh, EH9 3JJ (UK);4. School of Engineering, University of Edinburgh, Sanderson Building, The King's Buildings, Mayfield Road Edinburgh EH9 3JL (UK);5. Department of Chemistry, University of Aberdeen, Meston Buildings, King's College, Aberdeen, AB24 3UE (UK) |
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| Abstract: | ![]()
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. |
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| Keywords: | analytical methods carbon dioxide adsorption IR spectroscopy metal– organic frameworks single crystals |
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