1,3-Butadiene hydrogenation on pd-supported systems: geometric effects
AUTOR(ES)
Souza, P.R.N., Pereira, M.M., Antunes, O.A.C., Aranda, D.A.G., Carneiro, J.W.M.
FONTE
Brazilian Journal of Chemical Engineering
DATA DE PUBLICAÇÃO
2002-04
RESUMO
A strong metal support interaction (SMSI) effect was observed on Pd/Nb2O5 and Pd/TiO2 catalysts, and it produces small, exposed Pd ensembles. A decrease in the trans/cis 2-butene ratio was observed after reduction at 773 K. Selectivity changes were ascribed to the decoration model. Theoretical models were developed based on semi-empirical molecular-orbital calculations for 1,3-butadiene and Pd n clusters. Experimental results are in agreement with our theoretical model, which proposes a greater stabilization of the cisoid intermediate on small Pd ensembles.
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