Show simple item record

dc.contributor.authorChen, Yin
dc.contributor.authorCredendino, Raffaele
dc.contributor.authorCallens, Emmanuel
dc.contributor.authorAtiqullah, Muhammad
dc.contributor.authorAl-Harthi, Mamdouh Ahmed
dc.contributor.authorCavallo, Luigi
dc.contributor.authorBasset, Jean-Marie
dc.date.accessioned2015-08-03T11:11:00Z
dc.date.available2015-08-03T11:11:00Z
dc.date.issued2013-05-21
dc.identifier.issn21555435
dc.identifier.doi10.1021/cs400349p
dc.identifier.urihttp://hdl.handle.net/10754/562807
dc.description.abstractEthylene oligomerization to linear low-molecular-mass α-olefins is an open industrial challenge. Ta-based catalysts are promising systems, but the unclear understanding of their behavior prevents systematic advances in the field. We demonstrate here that a well-defined (î -SiO)3Ta III species is able to promote ethylene oligo-/polymerization without any cocatalyst, confirming that the active species in Ta systems corresponds to a TaIII species. DFT calculations on a series of Ta systems ranging from ethylene trimerization to ethylene polymerization catalysts highlight the key factors controlling their experimental behavior. Comparison of these Ta systems allows one to set general rules for the rational development of new ethylene Ta oligomerization catalysts. © 2013 American Chemical Society.
dc.description.sponsorshipWe thank SABIC for the generous endowment (to J.M.B.) and for research support (to Y.C.) and the OCRF for the generous support of our studies (E.C.). We appreciate technical cooperation from KAUST, KFUPM, CRP, and CoRE-PRP.
dc.publisherAmerican Chemical Society (ACS)
dc.subjectEthylene oligomerization
dc.subjectEthylene polymerization
dc.subjectHeterogeneous catalysis
dc.subjectSurface organometallic chemistry
dc.subjectTantalum catalysis
dc.titleUnderstanding tantalum-catalyzed ethylene trimerization: When things go wrong
dc.typeArticle
dc.contributor.departmentChemical Science Program
dc.contributor.departmentKAUST Catalysis Center (KCC)
dc.contributor.departmentKAUST Solar Center (KSC)
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalACS Catalysis
dc.contributor.institutionCenter for Refining and Petrochemicals (CRP), Center of Research Excellence in Petroleum Refining and Petrochemicals (CoRE-PRP), King Fahd University of Petroleum and Minerals, Dhahran 31261, Saudi Arabia
dc.contributor.institutionDepartment of Chemical Engineering, King Fahd University of Petroleum and Minerals, Dhahran 31261, Saudi Arabia
kaust.personChen, Yin
kaust.personCredendino, Raffaele
kaust.personCallens, Emmanuel
kaust.personCavallo, Luigi
kaust.personBasset, Jean-Marie
dc.date.published-online2013-05-21
dc.date.published-print2013-06-07


This item appears in the following Collection(s)

Show simple item record