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Retrospective Hit-Deconvolution of Mixed Metal Oxides: Spotting Structure-Property-Relationships in Gas Phase Oxidation Catalysis Through High Throughput Experimentation

[ Vol. 10 , Issue. 1 ]

Author(s):

Stephan Andreas Schunk, Andreas Sundermann and Hartmut Hibst   Pages 51 - 57 ( 7 )

Abstract:


Complex multi-element lead structures of mixed metal oxides that may be identified as hits during high throughput experimentation (HTE) campaigns, can be deconvoluted retrospectively on the basis of simple binary and ternary oxides as illustrated in the current example of a hit found in an ammoxidation reaction. On the basis of the performance of the simple binary and ternary mixed metal oxides structure property relationships can be established, that give insight into the roles of the different components of the complex mixed metal oxides and may also help in establishing a reaction mechanism and converting the hit into a development candidate.

Keywords:

Deconvolution, benzene activation, cyclohexane, library planning, Ammoxidation

Affiliation:

Aktiengesellschaft, Kurpfalzring 104, D-69123 Heidelberg, Germany.



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