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Supramolecular trap for a transient corannulene trianion.


ABSTRACT: The first structural characterization of the transient triply-reduced state of corannulene (C20H10) is accomplished. The X-ray crystallographic study reveals that the C20H10?3- 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 decks encapsulate 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.

SUBMITTER: Zabula AV 

PROVIDER: S-EPMC5966907 | biostudies-other | 2016 Mar

REPOSITORIES: biostudies-other

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Supramolecular trap for a transient corannulene trianion.

Zabula Alexander V AV   Spisak Sarah N SN   Filatov Alexander S AS   Rogachev Andrey Yu AY   Clérac Rodolphe R   Petrukhina Marina A MA  

Chemical science 20151217 3


The first structural characterization of the transient triply-reduced state of corannulene (C<sub>20</sub>H<sub>10</sub>) is accomplished. The X-ray crystallographic study reveals that the C<sub>20</sub>H<sub>10</sub>˙<sup>3-</sup> trianions, generated by corannulene reduction with metallic cesium, form a novel type of supramolecular sandwich-type assembly, [Cs<sup>+</sup>//(C<sub>20</sub>H<sub>10</sub><sup>3-</sup>)/4Cs<sup>+</sup>/(C<sub>20</sub>H<sub>10</sub><sup>3-</sup>)//Cs<sup>+</sup>]. I  ...[more]

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