NDLI: 1,3-Butadiene hydrogenation on pd-supported systems: geometric effects

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1,3-Butadiene hydrogenation on pd-supported systems: geometric effects

Content Provider	Scilit
Author	Souza, P. R. N. Pereira, M. M. Antunes, O. A. C. Aranda, D. A. G. Carneiro, J. W. M.
Copyright Year	2002
Description	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
Related Links	http://www.scielo.br/pdf/bjce/v19n2/10667.pdf
Ending Page	194
Page Count	8
Starting Page	187
ISSN	01046632
e-ISSN	16784383
DOI	10.1590/s0104-66322002000200005
Journal	Brazilian Journal of Chemical Engineering
Issue Number	2
Volume Number	19
Language	English
Publisher	FapUNIFESP (SciELO)
Publisher Date	2002-04-01
Access Restriction	Open
Subject Keyword	Brazilian Journal of Chemical Engineering Atomic, Molecular and Chemical Physics Molecular Modeling
Content Type	Text
Resource Type	Article
Subject	Chemical Engineering

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