C30H126-:: Self-aggregation, high charge density, and pyramidalization in a supramolecular structure of a supercharged hemifullerene

被引:26
作者
Treitel, Noach
Sheradsky, Tuvia
Peng, Lingqing
Scott, Lawrence T. [1 ]
Rabinovitz, Mordecai
机构
[1] Boston Coll, Dept Chem, Chestnut Hill, MA 02467 USA
[2] Hebrew Univ Jerusalem, Dept Organ Chem, IL-91904 Jerusalem, Israel
[3] Hebrew Univ Jerusalem, Lise Meitner Minerva Ctr Computat Quantum Chem, IL-91904 Jerusalem, Israel
关键词
alkali metals; anions; density functional calculations; polycycles; self-assembly;
D O I
10.1002/anie.200503542
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
(Figure Presented) Charging hemifullerene C30H12 with potassium metal gives the hexaanion C30H12 6-(16-). The NMR data, which indicate high symmetry, high charge density, and pyramidalization of the C-4 positions, as well as DFTcalculations, 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). © 2006 Wiley-VCH Verlag GmbH & Co. KGaA.
引用
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页码:3273 / 3277
页数:5
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