Conversion of actual flue gas CO 2 via cycloaddition to propylene oxide catalyzed by a single-site, recyclable zirconium catalyst

Handle URI:
http://hdl.handle.net/10754/625098
Title:
Conversion of actual flue gas CO 2 via cycloaddition to propylene oxide catalyzed by a single-site, recyclable zirconium catalyst
Authors:
Kelly, Michael J.; Barthel, Alexander; Maheu, Clement; Sodpiban, Ounjit; Dega, Frank-Blondel; Vummaleti, Sai V.C.; Abou-Hamad, Edy; Pelletier, Jeremie ( 0000-0002-4709-4898 ) ; Cavallo, Luigi ( 0000-0002-1398-338X ) ; D'Elia, Valerio; Basset, Jean-Marie ( 0000-0003-3166-8882 )
Abstract:
A reusable zirconium-based catalyst for the cycloaddition of CO2 to propylene oxide (PO) was prepared by the surface organometallic chemistry (SOMC) methodology. Accordingly, well-defined amounts of the ZrCl4·(OEt2)2 precursor were grafted on the surface of silica dehydroxylated at 700°C (SiO2-700) and at 200°C (SiO2-200) in order to afford surface coordination compounds with different podality and chemical environment. The identity of the surface complexes was thoroughly investigated by FT-IR, elemental microanalysis and solid state NMR and applied as a recoverable and reusable heterogeneous catalyst for the title reaction using pure CO2 and flue gas samples from a cement factory. The observed catalytic activity for the isolated zirconium complexes is rationalized by means of systematic DFT calculations.
KAUST Department:
KAUST Catalysis Center (KCC)
Citation:
Kelly MJ, Barthel A, Maheu C, Sodpiban O, Dega F-B, et al. (2017) Conversion of actual flue gas CO 2 via cycloaddition to propylene oxide catalyzed by a single-site, recyclable zirconium catalyst. Journal of CO2 Utilization 20: 243–252. Available: http://dx.doi.org/10.1016/j.jcou.2017.05.020.
Publisher:
Elsevier BV
Journal:
Journal of CO2 Utilization
Issue Date:
12-Jun-2017
DOI:
10.1016/j.jcou.2017.05.020
Type:
Article
ISSN:
2212-9820
Additional Links:
http://www.sciencedirect.com/science/article/pii/S2212982017301543
Appears in Collections:
Articles; KAUST Catalysis Center (KCC)

Full metadata record

DC FieldValue Language
dc.contributor.authorKelly, Michael J.en
dc.contributor.authorBarthel, Alexanderen
dc.contributor.authorMaheu, Clementen
dc.contributor.authorSodpiban, Ounjiten
dc.contributor.authorDega, Frank-Blondelen
dc.contributor.authorVummaleti, Sai V.C.en
dc.contributor.authorAbou-Hamad, Edyen
dc.contributor.authorPelletier, Jeremieen
dc.contributor.authorCavallo, Luigien
dc.contributor.authorD'Elia, Valerioen
dc.contributor.authorBasset, Jean-Marieen
dc.date.accessioned2017-06-21T06:48:03Z-
dc.date.available2017-06-21T06:48:03Z-
dc.date.issued2017-06-12en
dc.identifier.citationKelly MJ, Barthel A, Maheu C, Sodpiban O, Dega F-B, et al. (2017) Conversion of actual flue gas CO 2 via cycloaddition to propylene oxide catalyzed by a single-site, recyclable zirconium catalyst. Journal of CO2 Utilization 20: 243–252. Available: http://dx.doi.org/10.1016/j.jcou.2017.05.020.en
dc.identifier.issn2212-9820en
dc.identifier.doi10.1016/j.jcou.2017.05.020en
dc.identifier.urihttp://hdl.handle.net/10754/625098-
dc.description.abstractA reusable zirconium-based catalyst for the cycloaddition of CO2 to propylene oxide (PO) was prepared by the surface organometallic chemistry (SOMC) methodology. Accordingly, well-defined amounts of the ZrCl4·(OEt2)2 precursor were grafted on the surface of silica dehydroxylated at 700°C (SiO2-700) and at 200°C (SiO2-200) in order to afford surface coordination compounds with different podality and chemical environment. The identity of the surface complexes was thoroughly investigated by FT-IR, elemental microanalysis and solid state NMR and applied as a recoverable and reusable heterogeneous catalyst for the title reaction using pure CO2 and flue gas samples from a cement factory. The observed catalytic activity for the isolated zirconium complexes is rationalized by means of systematic DFT calculations.en
dc.publisherElsevier BVen
dc.relation.urlhttp://www.sciencedirect.com/science/article/pii/S2212982017301543en
dc.subjectCO2 conversionen
dc.subjectFlue gasen
dc.subjectHeterogeneous catalysisen
dc.subjectZirconiumen
dc.subjectPropylene carbonateen
dc.titleConversion of actual flue gas CO 2 via cycloaddition to propylene oxide catalyzed by a single-site, recyclable zirconium catalysten
dc.typeArticleen
dc.contributor.departmentKAUST Catalysis Center (KCC)en
dc.identifier.journalJournal of CO2 Utilizationen
dc.contributor.institutionDepartment of Materials Science and Engineering, School of Molecular Science and Engineering Vidyasirimedhi Institute of Science and Technology (VISTEC), 21210, Wang Chan, Thailanden
kaust.authorKelly, Michael J.en
kaust.authorBarthel, Alexanderen
kaust.authorMaheu, Clementen
kaust.authorDega, Frank-Blondelen
kaust.authorVummaleti, Sai V.C.en
kaust.authorAbou-Hamad, Edyen
kaust.authorPelletier, Jeremieen
kaust.authorCavallo, Luigien
kaust.authorD'Elia, Valerioen
kaust.authorBasset, Jean-Marieen
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