C30H126−: Self-Aggregation, High Charge Density, and Pyramidalization in a Supramolecular Structure of a Supercharged Hemifullerene

Charging hemifullerene C30H12 with potassium metal gives the hexaanion C30H126−(16−). The NMR data, which indicate high symmetry, high charge density, and pyramidalization of the C‐4 positions, as well as DFT calculations, are consistent with a tetramer [16−]4/24 K+, in which six K+ ions bridge four...

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Bibliographic Details
Published in:Angewandte Chemie International Edition 2006-05, Vol.45 (20), p.3273-3277
Main Authors: Treitel, Noach, Sheradsky, Tuvia, Peng, Lingqing, Scott, Lawrence T., Rabinovitz, Mordecai
Format: Article
Language:English
Subjects:
alkali metals
anions
density functional calculations
polycycles
self-assembly
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Summary:Charging hemifullerene C30H12 with potassium metal gives the hexaanion C30H126−(16−). The NMR data, which indicate high symmetry, high charge density, and pyramidalization of the C‐4 positions, as well as DFT calculations, are consistent with a tetramer [16−]4/24 K+, in which six K+ ions bridge four hexaanions (see picture; red K+, yellow H, blue C; the remaining 18 solvent‐separated K+ ions are not shown).
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.200503542