Počet záznamů: 1

Thiocyanation of closo-Dodecaborate B12H12 2-. A Novel Synthetic Route and Theoretical Elucidation of the Reaction Mechanism

  1. 1.
    0346285 - UOCHB-X 2011 RIV US eng J - Článek v odborném periodiku
    Lepšík, Martin - Srnec, Martin - Plešek, Jaromír - Buděšínský, Miloš - Klepetářová, Blanka - Hnyk, Drahomír - Grüner, Bohumír - Rulíšek, Lubomír
    Thiocyanation of closo-Dodecaborate B12H12 2-. A Novel Synthetic Route and Theoretical Elucidation of the Reaction Mechanism.
    Inorganic Chemistry. Roč. 49, č. 11 (2010), s. 5040-5048 ISSN 0020-1669
    Grant CEP: GA MŠk LC512; GA MŠk LC523; GA AV ČR IAAX00320901
    Výzkumný záměr: CEZ:AV0Z40550506; CEZ:AV0Z40320502
    Klíčová slova: thiocyanation * closo-dodecaborate * reaction mechanism * theoretical calculations
    Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
    Impakt faktor: 4.326, rok: 2010

    Novel and more convenient synthetic route for the thiocyanation of B12 H12 2- is presented in which /in situ /generated thiocyanogen (SCN)2 is used as the reagent. The synthesized disubstituted product B12 H10 (SCN)2 -2- is exclusively the /meta/ positional isomer as confirmed by the X-ray crystallographic analysis. The quantum chemical calculations yielded a clear and consistent picture of the electrophilic substitution (S-E ) reaction mechanism of the thiocyanation of B12H12 2- , thus broadening our understanding of boron hydride reactivity.
    Trvalý link: http://hdl.handle.net/11104/0005968