Understanding tantalum-catalyzed ethylene trimerization: When things go wrong

Handle URI:
http://hdl.handle.net/10754/562807
Title:
Understanding tantalum-catalyzed ethylene trimerization: When things go wrong
Authors:
Chen, Yin; Credendino, Raffaele; Callens, Emmanuel; Atiqullah, Muhammad; Al-Harthi, Mamdouh Ahmed; Cavallo, Luigi ( 0000-0002-1398-338X ) ; Basset, Jean-Marie ( 0000-0003-3166-8882 )
Abstract:
Ethylene 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.
KAUST Department:
KAUST Catalysis Center (KCC); Physical Sciences and Engineering (PSE) Division; Chemical Science Program; Solar and Photovoltaic Engineering Research Center (SPERC)
Publisher:
American Chemical Society (ACS)
Journal:
ACS Catalysis
Issue Date:
7-Jun-2013
DOI:
10.1021/cs400349p
Type:
Article
ISSN:
21555435
Sponsors:
We 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.
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Chemical Science Program; KAUST Catalysis Center (KCC); Solar and Photovoltaic Engineering Research Center (SPERC)

Full metadata record

DC FieldValue Language
dc.contributor.authorChen, Yinen
dc.contributor.authorCredendino, Raffaeleen
dc.contributor.authorCallens, Emmanuelen
dc.contributor.authorAtiqullah, Muhammaden
dc.contributor.authorAl-Harthi, Mamdouh Ahmeden
dc.contributor.authorCavallo, Luigien
dc.contributor.authorBasset, Jean-Marieen
dc.date.accessioned2015-08-03T11:11:00Zen
dc.date.available2015-08-03T11:11:00Zen
dc.date.issued2013-06-07en
dc.identifier.issn21555435en
dc.identifier.doi10.1021/cs400349pen
dc.identifier.urihttp://hdl.handle.net/10754/562807en
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.en
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.en
dc.publisherAmerican Chemical Society (ACS)en
dc.subjectEthylene oligomerizationen
dc.subjectEthylene polymerizationen
dc.subjectHeterogeneous catalysisen
dc.subjectSurface organometallic chemistryen
dc.subjectTantalum catalysisen
dc.titleUnderstanding tantalum-catalyzed ethylene trimerization: When things go wrongen
dc.typeArticleen
dc.contributor.departmentKAUST Catalysis Center (KCC)en
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentChemical Science Programen
dc.contributor.departmentSolar and Photovoltaic Engineering Research Center (SPERC)en
dc.identifier.journalACS Catalysisen
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 Arabiaen
dc.contributor.institutionDepartment of Chemical Engineering, King Fahd University of Petroleum and Minerals, Dhahran 31261, Saudi Arabiaen
kaust.authorChen, Yinen
kaust.authorCredendino, Raffaeleen
kaust.authorCallens, Emmanuelen
kaust.authorCavallo, Luigien
kaust.authorBasset, Jean-Marieen
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