Understanding tantalum-catalyzed ethylene trimerization: When things go wrong
dc.contributor.author | Chen, Yin | |
dc.contributor.author | Credendino, Raffaele | |
dc.contributor.author | Callens, Emmanuel | |
dc.contributor.author | Atiqullah, Muhammad | |
dc.contributor.author | Al-Harthi, Mamdouh Ahmed | |
dc.contributor.author | Cavallo, Luigi | |
dc.contributor.author | Basset, Jean-Marie | |
dc.date.accessioned | 2015-08-03T11:11:00Z | |
dc.date.available | 2015-08-03T11:11:00Z | |
dc.date.issued | 2013-05-21 | |
dc.identifier.issn | 21555435 | |
dc.identifier.doi | 10.1021/cs400349p | |
dc.identifier.uri | http://hdl.handle.net/10754/562807 | |
dc.description.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. | |
dc.description.sponsorship | 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. | |
dc.publisher | American Chemical Society (ACS) | |
dc.subject | Ethylene oligomerization | |
dc.subject | Ethylene polymerization | |
dc.subject | Heterogeneous catalysis | |
dc.subject | Surface organometallic chemistry | |
dc.subject | Tantalum catalysis | |
dc.title | Understanding tantalum-catalyzed ethylene trimerization: When things go wrong | |
dc.type | Article | |
dc.contributor.department | Chemical Science Program | |
dc.contributor.department | KAUST Catalysis Center (KCC) | |
dc.contributor.department | KAUST Solar Center (KSC) | |
dc.contributor.department | Physical Science and Engineering (PSE) Division | |
dc.identifier.journal | ACS Catalysis | |
dc.contributor.institution | Center 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.institution | Department of Chemical Engineering, King Fahd University of Petroleum and Minerals, Dhahran 31261, Saudi Arabia | |
kaust.person | Chen, Yin | |
kaust.person | Credendino, Raffaele | |
kaust.person | Callens, Emmanuel | |
kaust.person | Cavallo, Luigi | |
kaust.person | Basset, Jean-Marie | |
dc.date.published-online | 2013-05-21 | |
dc.date.published-print | 2013-06-07 |
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