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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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SYSNO ASEP 0354868 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title 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 Author(s) Londesborough, Michael Geoffrey Stephen (UACH-T) SAI, RID, ORCID
Bould, Jonathan (UACH-T) SAI, RID, ORCID
Baše, Tomáš (UACH-T) RID, SAI, ORCID
Hnyk, Drahomír (UACH-T) SAI, RID, ORCID
Bakardjiev, Mario (UACH-T) SAI, RID
Holub, Josef (UACH-T) SAI, RID, ORCID
Císařová, I. (CZ)
Kennedy, D. J. (GB)Source Title Inorganic Chemistry. - : American Chemical Society - ISSN 0020-1669
Roč. 49, č. 9 (2010), s. 4092-4098Number of pages 7 s. Language eng - English Country US - United States Keywords neutron-capture therapy ; crystal-structure ; boranes Subject RIV CA - Inorganic Chemistry R&D Projects LC523 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) IAA400320901 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) KAN400480701 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) CEZ AV0Z40320502 - UACH-T (2005-2011) UT WOS 000276939100020 DOI 10.1021/IC901976y Annotation 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. Workplace Institute of Inorganic Chemistry Contact Jana Kroneislová, krone@iic.cas.cz, Tel.: 311 236 931 Year of Publishing 2011
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