Supramolecular trap for a transient corannulene trianion Article - Décembre 2015

Alexander V. Zabula, Sarah N. Spisak, Alexander S. Filatov, Andrey Yu. Rogachev, Rodolphe Clérac, Marina A. Petrukhina

Alexander V. Zabula, Sarah N. Spisak, Alexander S. Filatov, Andrey Yu. Rogachev, Rodolphe Clérac, Marina A. Petrukhina, « Supramolecular trap for a transient corannulene trianion  », Chemical Science, décembre 2015, pp. 1954-1961. ISSN 2041-6520

Abstract

The first structural characterization of the transient triply-reduced state of corannulene (C20H10) is accomplished. The X-ray crystallographic study reveals that the C20H10c3- trianions, generated by corannulene reduction with metallic cesium, form a novel type of supramolecular sandwich-type assembly, [Cs+//(C20H103-)/4Cs+/(C20H103-)//Cs+]. In the product, two triply-charged corannulene decksencapsulate a rectangle of four cesium ions with the external concave bowl cavities being filled by one cesium ion each. The structural investigation is augmented by in-depth theoretical calculations to provide insights into the geometrical features and electronic structure of this unique organometallic self-assembly.

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