Efficient Hydrogenolysis of Alkanes at Low Temperature and Pressure Using Tantalum Hydride on MCM-41, and a Quantum Chemical Study

Handle URI:
http://hdl.handle.net/10754/562094
Title:
Efficient Hydrogenolysis of Alkanes at Low Temperature and Pressure Using Tantalum Hydride on MCM-41, and a Quantum Chemical Study
Authors:
Polshettiwar, Vivek ( 0000-0003-1375-9668 ) ; Pasha, Farhan Ahmad; De Mallmann, Aimery; Norsic, Sébastien; Thivolle-Cazat, Jean; Basset, Jean-Marie ( 0000-0003-3166-8882 )
Abstract:
Hydrogenolysis of hydrocarbons is of considerable technological importance for applications such as the hydroprocessing of petrochemical feedstocks to generate high-value and useful chemicals and fuels. We studied the catalytic activity of tantalum hydride supported on MCM-41 for the hydrogenolysis of alkanes at low temperature and low atmospheric pressure in a dynamic reactor. The reactions proceed with good turnover numbers, and the catalyst could be reused for several times, which makes the overall catalytic process sustainable. We derived the plausible mechanism by using DFT calculations and identified the preferred pathways by the analysis of potential energy surface. Our results and the proposed reaction mechanism demonstrate the viability of the "catalyst-by-design" approach. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
KAUST Department:
KAUST Catalysis Center (KCC); Physical Sciences and Engineering (PSE) Division; Chemical Science Program
Publisher:
Wiley-VCH Verlag
Journal:
ChemCatChem
Issue Date:
10-Feb-2012
DOI:
10.1002/cctc.201100130
Type:
Article
ISSN:
18673880
Sponsors:
The authors thank ESCPE-Lyon, CNRS, and KAUST for financial and logistical support.
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Chemical Science Program; KAUST Catalysis Center (KCC)

Full metadata record

DC FieldValue Language
dc.contributor.authorPolshettiwar, Viveken
dc.contributor.authorPasha, Farhan Ahmaden
dc.contributor.authorDe Mallmann, Aimeryen
dc.contributor.authorNorsic, Sébastienen
dc.contributor.authorThivolle-Cazat, Jeanen
dc.contributor.authorBasset, Jean-Marieen
dc.date.accessioned2015-08-03T09:44:39Zen
dc.date.available2015-08-03T09:44:39Zen
dc.date.issued2012-02-10en
dc.identifier.issn18673880en
dc.identifier.doi10.1002/cctc.201100130en
dc.identifier.urihttp://hdl.handle.net/10754/562094en
dc.description.abstractHydrogenolysis of hydrocarbons is of considerable technological importance for applications such as the hydroprocessing of petrochemical feedstocks to generate high-value and useful chemicals and fuels. We studied the catalytic activity of tantalum hydride supported on MCM-41 for the hydrogenolysis of alkanes at low temperature and low atmospheric pressure in a dynamic reactor. The reactions proceed with good turnover numbers, and the catalyst could be reused for several times, which makes the overall catalytic process sustainable. We derived the plausible mechanism by using DFT calculations and identified the preferred pathways by the analysis of potential energy surface. Our results and the proposed reaction mechanism demonstrate the viability of the "catalyst-by-design" approach. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.en
dc.description.sponsorshipThe authors thank ESCPE-Lyon, CNRS, and KAUST for financial and logistical support.en
dc.publisherWiley-VCH Verlagen
dc.subjectAlkanesen
dc.subjectHydrogenolysisen
dc.subjectSupported catalysten
dc.subjectSurface organometallic chemistryen
dc.subjectTantalumen
dc.titleEfficient Hydrogenolysis of Alkanes at Low Temperature and Pressure Using Tantalum Hydride on MCM-41, and a Quantum Chemical Studyen
dc.typeArticleen
dc.contributor.departmentKAUST Catalysis Center (KCC)en
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentChemical Science Programen
dc.identifier.journalChemCatChemen
dc.contributor.institutionInstitut de Chimie de Lyon, Université de Lyon 1CPE Lyon, CNRS, UMR 5265 C2P2, LCOMS, 43 Blvd du 11 Novembre 1918, Villeurbanne cedex, Franceen
kaust.authorPolshettiwar, Viveken
kaust.authorBasset, Jean-Marieen
kaust.authorPasha, Farhan Ahmaden
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