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The Lipophilically Wrapped Polyion Aggregate {H 120 C 144 O 24 (OP) 2 N − Na 6 + }, a Hexameric Sodium Tetraphenyl Imidodiphosphate Containing an [Na 6 O 12 ] Core in a Hydrocarbon Ellipsoid
Author(s) -
Bock Hans,
Schödel Holger,
Havlas Zdenek,
Herrmann Eckhard
Publication year - 1995
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.199513551
Subject(s) - crystallization , aggregate (composite) , dissolution , barium , center (category theory) , hydrocarbon , crystallography , hexane , materials science , chemistry , physics , nanotechnology , inorganic chemistry , organic chemistry
An amazingly simple access by dissolving barium metal in t BuOH, addition of n BuLi, and crystallization from THF/hexane leads to the polyion aggregate 1 . The novel polyhedral Ba 6 Li 3 O 2 core has a charge of 11 + and is surrounded by an ellipsoidal C 56 H 123 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.