1,3-butadiene hydrogenation on Pd-supported systems: Geometric effects

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Abstract

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 Pdn 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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Souza, P. R. N., Pereira, M. M., Antunes, O. A. C., Aranda, D. A. G., & Carneiro, J. W. M. (2002). 1,3-butadiene hydrogenation on Pd-supported systems: Geometric effects. Brazilian Journal of Chemical Engineering, 19(2), 187–194. https://doi.org/10.1590/S0104-66322002000200005

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