Cover Picture: Catalytic Hydrogenation of Unsaturated Aldehydes on Pt(111): Understanding the Selectivity from First-Principles Calculations (Angew. Chem. Int. Ed. 33/2005)

✍ Scribed by David Loffreda; Françoise Delbecq; Fabienne Vigné; Philippe Sautet

• Publisher: John Wiley and Sons
• Year: 2005
• Tongue: English
• Weight: 75 KB
• Volume: 44
• Category: Article
• ISSN: 0044-8249
• DOI: 10.1002/anie.200590111

✦ Synopsis

The selective hydrogenation of unsaturated aldehydes such as propenal on a Pt(111) surface, as shown in the cover picture, is an example of a heterogeneous catalysis reaction that yields two competitive products: propenol and propanal. The selectivity of this reaction is controlled by the balance between the surface hydrogenation steps and the desorption of the product. D. Loffreda et al. describe on page 5279 ff. the use of density functional theory and a microkinetic model to investigate the reaction pathways.