Efficient Hydrogenolysis of Alkanes at Low Temperature and Pressure Using Tantalum Hydride on MCM-41, and a Quantum Chemical Study
Type
ArticleAuthors
Polshettiwar, Vivek
Pasha, Farhan Ahmad
De Mallmann, Aimery
Norsic, Sébastien
Thivolle-Cazat, Jean
Basset, Jean-Marie

KAUST Department
Biological and Environmental Sciences and Engineering (BESE) DivisionChemical Science Program
KAUST Catalysis Center (KCC)
Physical Science and Engineering (PSE) Division
Date
2012-02-10Online Publication Date
2012-02-10Print Publication Date
2012-03-05Permanent link to this record
http://hdl.handle.net/10754/562094
Metadata
Show full item recordAbstract
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.Citation
Polshettiwar, V., Pasha, F. A., De Mallmann, A., Norsic, S., Thivolle-Cazat, J., & Basset, J. (2012). Efficient Hydrogenolysis of Alkanes at Low Temperature and Pressure Using Tantalum Hydride on MCM-41, and a Quantum Chemical Study. ChemCatChem, 4(3), 363–369. doi:10.1002/cctc.201100130Sponsors
The authors thank ESCPE-Lyon, CNRS, and KAUST for financial and logistical support.Publisher
WileyJournal
ChemCatChemae974a485f413a2113503eed53cd6c53
10.1002/cctc.201100130