The Lipophilically Wrapped Polyion Aggregate {H₁₂₀C₁₄₄O₂₄(OP)₂N⁻Na}, a Hexameric Sodium Tetraphenyl Imidodiphosphate Containing an [Na₆O₁₂] Core in a Hydrocarbon Ellipsoid

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.