Počet záznamů: 1

The determination of sulfoxide configuration in five-membered rings using NMR spectroscopy and DFT calculations

  1. 1.
    0368029 - UOCHB-X 2012 RIV GB eng J - Článek v odborném periodiku
    Dračínský, Martin - Pohl, Radek - Slavětínská, Lenka - Hřebabecký, Hubert - Buděšínský, Miloš
    The determination of sulfoxide configuration in five-membered rings using NMR spectroscopy and DFT calculations.
    Tetrahedron Asymmetry. Roč. 22, 18/19 (2011), s. 1797-1808 ISSN 0957-4166
    Grant CEP: GA ČR GA203/09/1919
    Výzkumný záměr: CEZ:AV0Z40550506
    Klíčová slova: NMR spectroscopy * DFT calculations * sulfoxides
    Kód oboru RIV: CC - Organická chemie
    Impakt faktor: 2.652, rok: 2011

    Cyclic five-membered ring sulfoxides and sulfones were prepared by a stepwise in situ oxidation of the corresponding sulfides with meta-chloroperbenzoic acid in an NMR tube. DFT calculated 13C chemical shifts induced by oxidation were in very good agreement with the experimental data and could be used to determine the oxidation state of the sulfur atom and to distinguish between the diastereoisomeric sulfoxides and allowed configuration determination.
    Trvalý link: http://hdl.handle.net/11104/0202502