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Crystal Structure of Dilithioacetylacetone: A Twenty-Four Vertex Li-O Cage Molecule with Limited Li–C(terminal) Bonding and Selective THF Solvation

Clegg, W. and Horsburgh, L. and Mulvey, Robert and Ross, M.J. (1995) Crystal Structure of Dilithioacetylacetone: A Twenty-Four Vertex Li-O Cage Molecule with Limited Li–C(terminal) Bonding and Selective THF Solvation. Angewandte Chemie International Edition, 34 (11). pp. 1233-1234. ISSN 1433-7851

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Abstract

The true nature of “dicarbanion” synthetic intermediates generated by dilithiation of a β-diketone is unveiled by an X-ray crystallographic study of an acetylacetone (acac) derivative. A notable feature of its (LiO)12 cage structure is its three coordinatively distinct acac dianions, one of which (shown schematically on the right) surprisingly exhibits (μ4O)–Li4 bonding, as well as a LiC(H2) contact.