Olefin oligomerization reactions theoretical studies using cyclometallated palladium(II) catalysts and experimental studies on platinum(II) analogues

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dc.contributor.advisorMoss, John Ren_ZA
dc.contributor.advisorHutton, Alan Ten_ZA
dc.contributor.advisorMapolie, Selwyn Fen_ZA
dc.contributor.advisorVan Sittert, Cornie GCEen_ZA
dc.contributor.authorZheng, Fengen_ZA
dc.date.accessioned2015-01-01T13:08:57Z
dc.date.available2015-01-01T13:08:57Z
dc.date.issued2012en_ZA
dc.descriptionIncludes abstract.en_ZA
dc.descriptionIncludes bibliographical references.en_ZA
dc.description.abstractEthylene oligomerization reactions catalysed by cyclometallated palladium(II) N-benzylidenebenzylamine complexes were studied theoretically. Density functional theory (DFT) calculations are reported on the interaction of various MAO models with the methylated pre-catalyst. The neutral MAO dissociation process is shown to remain the major interaction that takes place in the Pd/MAO interactions. On the other hand, the formal methyl abstraction process could be also feasible if more energy is provided. Therefore, the relative energies were calculated for intermediates and transition states for both Cossee-type and metallacycle mechanisms.en_ZA
dc.identifier.apacitationZheng, F. (2012). <i>Olefin oligomerization reactions theoretical studies using cyclometallated palladium(II) catalysts and experimental studies on platinum(II) analogues</i>. (Thesis). University of Cape Town ,Faculty of Science ,Department of Chemistry. Retrieved from http://hdl.handle.net/11427/10908en_ZA
dc.identifier.chicagocitationZheng, Feng. <i>"Olefin oligomerization reactions theoretical studies using cyclometallated palladium(II) catalysts and experimental studies on platinum(II) analogues."</i> Thesis., University of Cape Town ,Faculty of Science ,Department of Chemistry, 2012. http://hdl.handle.net/11427/10908en_ZA
dc.identifier.citationZheng, F. 2012. Olefin oligomerization reactions theoretical studies using cyclometallated palladium(II) catalysts and experimental studies on platinum(II) analogues. University of Cape Town.en_ZA
dc.identifier.ris TY - Thesis / Dissertation AU - Zheng, Feng AB - Ethylene oligomerization reactions catalysed by cyclometallated palladium(II) N-benzylidenebenzylamine complexes were studied theoretically. Density functional theory (DFT) calculations are reported on the interaction of various MAO models with the methylated pre-catalyst. The neutral MAO dissociation process is shown to remain the major interaction that takes place in the Pd/MAO interactions. On the other hand, the formal methyl abstraction process could be also feasible if more energy is provided. Therefore, the relative energies were calculated for intermediates and transition states for both Cossee-type and metallacycle mechanisms. DA - 2012 DB - OpenUCT DP - University of Cape Town LK - https://open.uct.ac.za PB - University of Cape Town PY - 2012 T1 - Olefin oligomerization reactions theoretical studies using cyclometallated palladium(II) catalysts and experimental studies on platinum(II) analogues TI - Olefin oligomerization reactions theoretical studies using cyclometallated palladium(II) catalysts and experimental studies on platinum(II) analogues UR - http://hdl.handle.net/11427/10908 ER - en_ZA
dc.identifier.urihttp://hdl.handle.net/11427/10908
dc.identifier.vancouvercitationZheng F. Olefin oligomerization reactions theoretical studies using cyclometallated palladium(II) catalysts and experimental studies on platinum(II) analogues. [Thesis]. University of Cape Town ,Faculty of Science ,Department of Chemistry, 2012 [cited yyyy month dd]. Available from: http://hdl.handle.net/11427/10908en_ZA
dc.language.isoengen_ZA
dc.publisher.departmentDepartment of Chemistryen_ZA
dc.publisher.facultyFaculty of Scienceen_ZA
dc.publisher.institutionUniversity of Cape Town
dc.subject.otherChemistryen_ZA
dc.titleOlefin oligomerization reactions theoretical studies using cyclometallated palladium(II) catalysts and experimental studies on platinum(II) analoguesen_ZA
dc.typeDoctoral Thesis
dc.type.qualificationlevelDoctoral
dc.type.qualificationnamePhDen_ZA
uct.type.filetypeText
uct.type.filetypeImage
uct.type.publicationResearchen_ZA
uct.type.resourceThesisen_ZA
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