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dc.contributor.authorGreenaway, Alex
dc.contributor.authorGonzalez Santiago, Berenice
dc.contributor.authorDonaldson, Paul
dc.contributor.authorFrogley, Mark
dc.contributor.authorCinque, Gianfelice
dc.contributor.authorSotelo, Jorge
dc.contributor.authorMoggach, Stephen
dc.contributor.authorShiko, Elenica
dc.contributor.authorBrandani, Stefano
dc.contributor.authorHowe, Russell
dc.contributor.authorWright, Paul Anthony
dc.identifier.citationGreenaway , A , Gonzalez Santiago , B , Donaldson , P , Frogley , M , Cinque , G , Sotelo , J , Moggach , S , Shiko , E , Brandani , S , Howe , R & Wright , P A 2014 , ' In situ synchrotron IR microspectroscopy of CO 2 adsorption on single crystals of the functionalised MOF, Sc 2 (BDC-NH 2 ) 3 ' , Angewandte Chemie International Edition , vol. 53 , no. 49 , pp. 13483-13487 .
dc.identifier.otherPURE: 157248925
dc.identifier.otherPURE UUID: d75bd863-9736-4407-93f8-b1ed20607a34
dc.identifier.otherScopus: 84915756173
dc.identifier.otherWOS: 000345590300029
dc.identifier.otherORCID: /0000-0002-4243-9957/work/62668262
dc.descriptionThe authors thank the EPSRC (Grant Number: EP/J02077X/1), CONACYT Mexico, and the University of Edinburgh for funding this research.en
dc.description.abstractSynchrotron 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.
dc.relation.ispartofAngewandte Chemie International Editionen
dc.rights© 2014 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This is an open access article under the terms of the Creative Commons Attribution License (, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.en
dc.subjectAnalytical methodsen
dc.subjectCarbon dioxide adsoptionen
dc.subjectIR spectroscopyen
dc.subjectMetal-organic frameworksen
dc.subjectSingle crystalsen
dc.subjectQD Chemistryen
dc.titleIn situ synchrotron IR microspectroscopy of CO2 adsorption on single crystals of the functionalised MOF, Sc2(BDC-NH2)3en
dc.typeJournal articleen
dc.description.versionPublisher PDFen
dc.contributor.institutionUniversity of St Andrews. School of Chemistryen
dc.contributor.institutionUniversity of St Andrews. EaSTCHEMen
dc.description.statusPeer revieweden

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