Alkene oxidation by Ti-containing polyoxometalates. Unambiguous characterization of the role of the protonation stateElectronic supplementary information (ESI) available: Experimental and computational details, kinetic curves for cyclooctene consumption, relative energies of different isomers, and xyz coordinates for the most relevant structures. See DOI: 10.1039/c2cc34577c

Kinetic and DFT studies revealed that protonation of Ti-containing polyoxometalates (Ti-POM) lowers significantly the energy barrier for the heterolytic oxygen transfer from the Ti hydroperoxo intermediate to the alkene, increasing the activity and selectivity of alkene oxidation. The protonation of...

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Main Authors: Jiménez-Lozano, Pablo, Ivanchikova, Irina D, Kholdeeva, Oxana A, Poblet, Josep M, Carbó, Jorge J
Format: Article
Language:English
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Summary:Kinetic and DFT studies revealed that protonation of Ti-containing polyoxometalates (Ti-POM) lowers significantly the energy barrier for the heterolytic oxygen transfer from the Ti hydroperoxo intermediate to the alkene, increasing the activity and selectivity of alkene oxidation. The protonation of Ti-polyoxometalates increases the activity and selectivity of alkene oxidation by lowering the energy barrier for the heterolytic oxygen transfer.
ISSN:1359-7345
1364-548X
DOI:10.1039/c2cc34577c