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An Experimental Solution to the "Missing Hydrogens" Question Surrounding the Macropolyhedral 19-Vertex Boron Hydride Monoanion [B19H22](-), a Simplification of Its Synthesis, and Its Use As an Intermediate in the First Example of syn-B18H22 to anti-B18H22 Isomer Conversion

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    0354868 - ÚACH 2011 RIV US eng J - Journal Article
    Londesborough, Michael Geoffrey Stephen - Bould, Jonathan - Baše, Tomáš - Hnyk, Drahomír - Bakardjiev, Mario - Holub, Josef - Císařová, I. - Kennedy, D. J.
    An Experimental Solution to the "Missing Hydrogens" Question Surrounding the Macropolyhedral 19-Vertex Boron Hydride Monoanion [B19H22](-), a Simplification of Its Synthesis, and Its Use As an Intermediate in the First Example of syn-B18H22 to anti-B18H22 Isomer Conversion.
    Inorganic Chemistry. Roč. 49, č. 9 (2010), s. 4092-4098. ISSN 0020-1669. E-ISSN 1520-510X
    R&D Projects: GA MŠMT LC523; GA AV ČR IAA400320901; GA AV ČR(CZ) KAN400480701
    Institutional research plan: CEZ:AV0Z40320502
    Keywords : neutron-capture therapy * crystal-structure * boranes
    Subject RIV: CA - Inorganic Chemistry
    Impact factor: 4.326, year: 2010

    The macropolyhedral [B19H22](-) monoanion 1 and the dianion [B19H21](2-) 2 are synthesized in consistent 86-92% yields by the reaction of [PSH](+)[syn-B18H21](-) with BH3(SMe2) in 1,2-Cl2C2H4 at 72 degrees C. ['PS' is an abbreviation for 'Proton Sponge', 1,8-bis-(dimethylamino)naphthalene 'PSH' is its protonated derivative.] The molecular structures of 1 and 2 were elucidated as their [PS{BH2}](+) and [PS{BH2}](2+) salts la and 2a by single-crystal X-ray diffraction studies, in which all atoms were located, and supported by mass spectrometric analyses together with calculations of the cluster molecular geometries (ab ignitio and/or DFT) and of B-11 chemical shifts based on GIAO-DFT shielding tensors Acidification of dianion 2 with CF3COOH in acetonitrile, H2SO4 in dichloromethane, or aqueous HCl results in the clean formation of the monoanion B19H22]- 1.
    Permanent Link: http://hdl.handle.net/11104/0006282

     
     
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