Theoretical feasibility of CO-activation and Fischer–Tropsch chain growth on mono- and diatomic Ru complexes

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dc.contributor.authorWelker, Cathrin
dc.contributor.authorPhala, Noko S
dc.contributor.authorMoss, John R
dc.contributor.authorClaeys, Michael
dc.contributor.authorvan Steen, Eric
dc.date.accessioned2016-07-26T07:57:04Z
dc.date.available2016-07-26T07:57:04Z
dc.date.issued2008
dc.date.updated2016-07-15T15:39:56Z
dc.description.abstractThermodynamic analyses of different proposed reaction pathways to determine the thermodynamic feasibility of FT reactions on a mono- and diatomic Ru-complex as model catalysts were performed. Ru(CO)5 and Ru2(CO)9 were taken as starting complexes. The calculations illustrate that a minimum of two adjacent metal atoms is required for C O bond cleavage and chain growth in the Fischer–Tropsch synthesis. The CO-insertion mechanism seems to be thermodynamically most feasible reaction pathway on diatomic Ru-clusters.en_ZA
dc.identifierhttp://dx.doi.org/10.1016/j.molcata.2008.03.023
dc.identifier.apacitationWelker, C., Phala, N. S., Moss, J. R., Claeys, M., & van Steen, E. (2008). Theoretical feasibility of CO-activation and Fischer–Tropsch chain growth on mono- and diatomic Ru complexes. <i>Journal of Molecular Catalysis A: Chemical</i>, http://hdl.handle.net/11427/20738en_ZA
dc.identifier.chicagocitationWelker, Cathrin, Noko S Phala, John R Moss, Michael Claeys, and Eric van Steen "Theoretical feasibility of CO-activation and Fischer–Tropsch chain growth on mono- and diatomic Ru complexes." <i>Journal of Molecular Catalysis A: Chemical</i> (2008) http://hdl.handle.net/11427/20738en_ZA
dc.identifier.citationWelker, C., Phala, N. S., Moss, J. R., Claeys, M., & van Steen, E. (2008). Theoretical feasibility of CO-activation and Fischer–Tropsch chain growth on mono-and diatomic Ru complexes. Journal of Molecular Catalysis A: Chemical, 288(1), 75-82.en_ZA
dc.identifier.issn1381-1169)en_ZA
dc.identifier.ris TY - Journal Article AU - Welker, Cathrin AU - Phala, Noko S AU - Moss, John R AU - Claeys, Michael AU - van Steen, Eric AB - Thermodynamic analyses of different proposed reaction pathways to determine the thermodynamic feasibility of FT reactions on a mono- and diatomic Ru-complex as model catalysts were performed. Ru(CO)5 and Ru2(CO)9 were taken as starting complexes. The calculations illustrate that a minimum of two adjacent metal atoms is required for C O bond cleavage and chain growth in the Fischer–Tropsch synthesis. The CO-insertion mechanism seems to be thermodynamically most feasible reaction pathway on diatomic Ru-clusters. DA - 2008 DB - OpenUCT DP - University of Cape Town J1 - Journal of Molecular Catalysis A: Chemical LK - https://open.uct.ac.za PB - University of Cape Town PY - 2008 SM - 1381-1169) T1 - Theoretical feasibility of CO-activation and Fischer–Tropsch chain growth on mono- and diatomic Ru complexes TI - Theoretical feasibility of CO-activation and Fischer–Tropsch chain growth on mono- and diatomic Ru complexes UR - http://hdl.handle.net/11427/20738 ER - en_ZA
dc.identifier.urihttp://hdl.handle.net/11427/20738
dc.identifier.vancouvercitationWelker C, Phala NS, Moss JR, Claeys M, van Steen E. Theoretical feasibility of CO-activation and Fischer–Tropsch chain growth on mono- and diatomic Ru complexes. Journal of Molecular Catalysis A: Chemical. 2008; http://hdl.handle.net/11427/20738.en_ZA
dc.languageengen_ZA
dc.publisherElsevieren_ZA
dc.publisher.institutionUniversity of Cape Town
dc.rightsCreative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/en_ZA
dc.sourceJournal of Molecular Catalysis A: Chemicalen_ZA
dc.source.urihttp://www.sciencedirect.com/science/journal/13811169
dc.subject.otherFischer–Tropsch
dc.subject.otherDFT
dc.subject.otherThermodynamic analyses
dc.subject.otherReaction pathways
dc.subject.otherRu-complexes
dc.titleTheoretical feasibility of CO-activation and Fischer–Tropsch chain growth on mono- and diatomic Ru complexesen_ZA
dc.typeJournal Articleen_ZA
uct.type.filetypeText
uct.type.filetypeImage
uct.type.publicationResearchen_ZA
uct.type.resourceArticleen_ZA
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