Journal
CHEMICAL SCIENCE
Volume 7, Issue 3, Pages 1954-1961Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c5sc04385a
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Funding
- National Science Foundation [CHE-1212441, MRI-1337594]
- ACS PRF
- Illinois Institute of Technology (IIT)
- University at Albany
- International Centre for Diffraction Data (ICDD)
- Division Of Chemistry [1212441] Funding Source: National Science Foundation
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The first structural characterization of the transient triply-reduced state of corannulene (C20H10) is accomplished. The X-ray crystallographic study reveals that the C20H10 center dot 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.
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