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  5. Mechanistic analogies and differences between gold- and palladium-supported Schiff base complexes as hydrogenation catalysts: A combined kinetic and DFT study

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Article
English
2008

Mechanistic analogies and differences between gold- and palladium-supported Schiff base complexes as hydrogenation catalysts: A combined kinetic and DFT study

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English
2008
Journal of Catalysis
Vol 254 (2)
DOI: 10.1016/j.jcat.2007.12.015

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Avelino Avelino
Avelino Avelino

Instituto de Tecnología Química

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Aleix Comas‐Vives
Camino González‐Arellano
Mercedes Boronat
+4 more

Abstract

The mechanism of olefin hydrogenation catalyzed by PdII and AuIII Schiff base complexes, both with an analog d8 electronic structure, is analyzed by means of kinetic and computational methods. The computational study is able to explain the differences experimentally observed in relation to the influence of the solvent (polarity and proton donor ability) and of the hydrogen pressure on the AuIII- and PdII-catalyzed reaction mechanisms. These considerations can guide the proper selection of solid supports for heterogenization of catalysts to significantly increase their activity.

How to cite this publication

Aleix Comas‐Vives, Camino González‐Arellano, Mercedes Boronat, Avelino Avelino, M. Iglesias, Félix Sánchez, Gregori Ujaque (2008). Mechanistic analogies and differences between gold- and palladium-supported Schiff base complexes as hydrogenation catalysts: A combined kinetic and DFT study. Journal of Catalysis, 254(2), pp. 226-237, DOI: 10.1016/j.jcat.2007.12.015.

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Publication Details

Type

Article

Year

2008

Authors

7

Datasets

0

Total Files

0

Language

English

Journal

Journal of Catalysis

DOI

10.1016/j.jcat.2007.12.015

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