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Cover Picture: Catalytic Hydrogenation of Unsaturated Aldehydes on Pt(111): Understanding the Selectivity from First‐Principles Calculations (Angew. Chem. Int. Ed. 33/2005)
Author(s) -
Loffreda David,
Delbecq Françoise,
Vigné Fabienne,
Sautet Philippe
Publication year - 2005
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200590111
Subject(s) - selectivity , cover (algebra) , catalysis , chemistry , density functional theory , desorption , computational chemistry , organic chemistry , adsorption , mechanical engineering , engineering
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.