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Issue 24, 2002
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Determining the structure of active sites, transition states and intermediates in heterogeneously catalysed reactions

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Abstract

With open-structure (nanoporous) oxidic solids, numerous distinct kinds of single-site catalysts may be precisely designed. Apart from serving as a means of generating a range of powerful new catalysts (especially for selective oxidations), in which well-defined active sites are carefully engineered, the detailed local atomic environment of these sites may be determined by in situ X-ray absorption fine-structure (XAFS) spectroscopy. Moreover, by combining steady-state XAFS studies with density functional (DF) computations the structure of intermediate and transition states along the pathway of heterogeneously catalysed reactions may also be determined.

Graphical abstract: Determining the structure of active sites, transition states and intermediates in heterogeneously catalysed reactions

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Publication details

The article was first published on 02 Dec 2002


Article type: Focus
DOI: 10.1039/B210679P
Citation: Chem. Commun., 2002,0, 2921-2925
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    Determining the structure of active sites, transition states and intermediates in heterogeneously catalysed reactions

    J. M. Thomas, C. R. A. Catlow and G. Sankar, Chem. Commun., 2002, 0, 2921
    DOI: 10.1039/B210679P

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