Determination of the mechanism of cyclohexane dehydrogenation over Pt- and PtPd-supported catalysts through theoretical and experimental studies
Por:
Ruiz-Vizcaya M.E., Novaro O., Ferreira J.M., Gómez R.
Publicada:
1 ene 1978
Resumen:
Cyclohexane dehydrogenation by highly dispersed PtPd bimetallic catalysts is analyzed on the basis of experimental and theoretical data. Experimentally it is established that no alloy formation exists and that the activation occurs over Pt sites only. A single center mechanism implying a series of II-? shifts is proposed. To justify this, a molecular orbital self-consistent field study of the molecular structure and electronic charge distribution of the Pt-active site and the chemisorbed cyclohexane molecule as they change during the process is presented. This permits elucidation of the crucial steps of the corresponding reaction coordinate. © 1978.
Filiaciones:
Novaro O.:
Instituto Mexicano del Petróleo, Avenida de los Cien Metros 152, México 14, D. F., Mexico
Institute de Física, Universidad Nacional A. de México, Apdo. Post, 20-364, México 20, D. F., Mexico
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