title: Carbon dioxide adsorption in amine-functionalized mixed-ligand metal-organic frameworks of UiO-66 topology.
abstract: A series of mixed-ligand [1,4-benzenedicarboxylic acid (BDC)/2-amino-1,4-benzenedicarboxylic acid (ABDC)] UiO-66 metal-organic frameworks (MOFs) synthesized through two different methods (low (LT) and high temperature (HT)) have been investigated for their carbon dioxide adsorption properties from 0 to 1 bar to clarify the role of amino loading on carbon dioxide uptake. Volumetric CO2 isotherms show that the CO2 capacity (normalized to the Langmuir surface area) increases with a degree of functionalization of about 46%; for similar NH2 contents, the same values are found for both synthetic procedures. Microcalorimetric isotherms reveal that amino-functionalized materials have a larger differential heat of adsorption (q(diff) ) towards CO2 ; reaching 27(25) and 20(22) kJ mol(-1) on HT(LT)-UiO-66-NH2 and UiO-66, respectively, at the lowest equilibrium pressures used in this study. All experimental results are supported by values obtained through quantum mechanical calculations.
authors.affiliation: Department of Chemistry, NIS and INSTM Reference Centre, University of Turin, Via G. Quarello 15A, 10135 and Via P. Giuria 7, 10125 Turin (Italy).
authors.forename: Jayashree
authors.initials: J
authors.lastname: Ethiraj
authors.forename: Elisa
authors.initials: E
authors.lastname: Albanese
authors.forename: Bartolomeo
authors.initials: B
authors.lastname: Civalleri
authors.forename: Jenny G
authors.initials: JG
authors.lastname: Vitillo
authors.forename: Francesca
authors.initials: F
authors.lastname: Bonino
authors.forename: Sachin
authors.initials: S
authors.lastname: Chavan
authors.forename: Greig C
authors.initials: GC
authors.lastname: Shearer
authors.forename: Karl Petter
authors.initials: KP
authors.lastname: Lillerud
authors.forename: Silvia
authors.initials: S
authors.lastname: Bordiga
mesh_terms: D000327:Adsorption; D000588:Amines / Q000737:chemistry*; D002245:Carbon Dioxide / Q000737:chemistry*; D008024:Ligands; D008670:Metals / Q000737:chemistry*; D009930:Organic Chemicals / Q000737:chemistry*; D017550:Spectroscopy, Fourier Transform Infrared
chemical_list: D000588:Amines; D008024:Ligands; D008670:Metals; D009930:Organic Chemicals; D002245:Carbon Dioxide
keywords: IR spectroscopy; ab initio calculations; adsorption; carbon dioxide capture; metal-organic frameworks