Advanced Materials

A theoretical way of aiding the design of solid-state syntheses

Authors

  • Dr. Richard Dronskowski,

    Corresponding author
    1. Department of Chemistry and Materials Science Center Cornell University, Ithaca, New York 14853-1301 (USA)
    • Department of Chemistry and Materials Science Center Cornell University, Ithaca, New York 14853-1301 (USA)
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  • Prof. Roald Hoffmann

    Corresponding author
    1. Department of Chemistry and Materials Science Center Cornell University, Ithaca, New York 14853-1301 (USA)
    • Department of Chemistry and Materials Science Center Cornell University, Ithaca, New York 14853-1301 (USA)
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  • R. D. would like to thank the Verband der Chemischen Industrie (FRG) for financing his and his family's life in Ithaca (NY) by means of the Liebig scholarship. Also, we would like to thank Jane Jorgensen for the drawings. The research at Cornell was supported by the National Science Foundation through grant CHE-8912070.

Abstract

While aids to synthesis design are available to the organic chemist, for example the Woodward-Hoffmann rules, the situation for the chemist involved in solid-state synthesis is somewhat different. Here, the researcher is forced into planning synthetic steps in a much more rudimentary way. In this, somewhat extended article, a new concept for the design of solid-state syntheses, based on improved descriptions for acidity, basicity, electrophilicity, and nucleophilicity in the solid, is presented.

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