Molecular understanding of alkyne hydrogenation for the design of selective catalysts

Dalton Transactions : an International Journal of Inorganic Chemistry
Blaise BridierJavier Pérez-Ramírez

Abstract

The gas-phase hydrogenation of propyne to propene was investigated over a series of heterogeneous catalysts based on Pd (in the absence and the presence of CO), Ni, Au, Cu, and Cu-Ni. Catalytic tests in a continuous flow micro-reactor at ambient pressure and density functional theory (DFT) calculations were combined to understand complex structure-selectivity-activity relationships and their dependence on key experimental variables such as H(2)/alkyne and CO/H(2) ratios. The wide scope of our work enables the identification of similarities and differences between these systems and paves the way to design more selective catalysts.

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Feb 25, 2010·Journal of the American Chemical Society·Blaise Bridier, Javier Pérez-Ramírez

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Citations

Jul 23, 2014·Physical Chemistry Chemical Physics : PCCP·Laurent DelannoyCatherine Louis
Oct 2, 2012·Journal of the American Chemical Society·Mei YanYoshinori Yamamoto
Apr 15, 2016·Faraday Discussions·Alan J McCueJames A Anderson
May 16, 2017·Beilstein Journal of Organic Chemistry·Carmen Moreno-MarrodanPierluigi Barbaro
Jul 20, 2012·Angewandte Chemie·Gianvito ViléJavier Pérez-Ramírez
Oct 11, 2017·Chemical Communications : Chem Comm·Xinyao DaiYadong Li
Jul 8, 2018·Nature Communications·Davide AlbaniJavier Pérez-Ramírez
Jun 22, 2017·ChemCatChem·Nazila MasoudPetra E de Jongh
Feb 22, 2011·ChemSusChem·Muhammad IrfanC Oliver Kappe
Nov 25, 2011·Chemical Communications : Chem Comm·Núria López, Crisa Vargas-Fuentes
Apr 18, 2018·The Journal of Physical Chemistry. a·Jeong Yun Kim, Heather J Kulik

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