The Lipophilically Wrapped Polyion Aggregate {H120C144O24(OP)2N−Na
}, a Hexameric Sodium Tetraphenyl Imidodiphosphate Containing an [Na6O12] Core in a Hydrocarbon Ellipsoid†‡
Lipophilically Wrapped Polyion Aggregates, Part 2, and Interactions in Crystals, Part 70. The research project was supported by the Adolf-Messer-Foundation, the Deutsche Forschungsgemeinschaft, the State of Hesse, and the Fonds der Chemischen Industrie. Part 1 and Part 69: ref. [1].
Dedicated to Professor Peter Schuster
Graphical Abstract
An amazingly simple access by dissolving barium metal in tBuOH, addition of nBuLi, and crystallization from THF/hexane leads to the polyion aggregate 1. The novel polyhedral Ba6Li3O2 core has a charge of 11+ and is surrounded by an ellipsoidal C56H123 hydrocarbon skin. Density functional calculations for a 33-center/460-electron model revealed that it is indeed a polyion aggregate, and that weak interactions exist between the two oxygen centers in the polyhedron. In the second communication the hydrocarbon ellipsoid of the polyion aggregate consists of 24 phenyl groups, and the interactions between them are analyzed.