Issue 36, 2010

Molecular understanding of alkyne hydrogenation for the design of selective catalysts

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 H2/alkyne and CO/H2 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.

Graphical abstract: Molecular understanding of alkyne hydrogenation for the design of selective catalysts

Article information

Article type
Perspective
Submitted
19 Feb 2010
Accepted
18 Jun 2010
First published
26 Jul 2010

Dalton Trans., 2010,39, 8412-8419

Molecular understanding of alkyne hydrogenation for the design of selective catalysts

B. Bridier, N. López and J. Pérez-Ramírez, Dalton Trans., 2010, 39, 8412 DOI: 10.1039/C0DT00010H

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