Competitive C{double_bond}C and C{double_bond}O adsorption of {alpha}-{beta} unsaturated aldehydes on Pt and Pd surfaces in relation with the selectivity of hydrogenation reactions: A theoretical approach
- Institut de Recherches sur la Catalyse, Lyon (France)
The adsorption geometries of acrolein, crotonaldehyde, methylcrotonaldehyde (prenal), and cinnamaldehyde on Pt and Pd surfaces have been studied by means of semiempirical extended Hueckel calculations: Pt(111), Pt(100), Pt(110), and Pd(111) surfaces, and steps on Pt(111) have been compared. Depending on the face and the substituents of the organic molecule, the adsorption geometries are totally different: a di-{sigma} form is preferred on Pt(111), a planar {eta}{sub 4} one on Pd(111) and Pt(100), and a {pi}{sub cc} one on Pt(110) and on the step. These preferred adsorption modes allow one to explain the selectivity observed during the hydrogenation of prenal on these well-defined surfaces. The results obtained in this work also allow one to understand the behavior of different metal catalysts towards the hydrogenation of the {alpha}-{beta} unsaturated aldehydes. 32 refs., 8 figs., 8 tabs.
- OSTI ID:
- 70252
- Journal Information:
- Journal of Catalysis, Vol. 152, Issue 2; Other Information: PBD: 1 Apr 1995
- Country of Publication:
- United States
- Language:
- English
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