Počet záznamů: 1

On the Mechanism of the Copper-Mediated C-S Bond Formation in the Intramolecular Disproportionation of Imine Disulfides

  1. 1.
    0367544 - UOCHB-X 2012 RIV US eng J - Článek v odborném periodiku
    Rokob, Tibor András - Rulíšek, Lubomír - Šrogl, Jiří - Révész, Agnes - Zins, Emilie-Laure - Schröder, Detlef
    On the Mechanism of the Copper-Mediated C-S Bond Formation in the Intramolecular Disproportionation of Imine Disulfides.
    Inorganic Chemistry. Roč. 50, č. 20 (2011), s. 9968-9979 ISSN 0020-1669
    Grant CEP: GA MŠk LC512
    Grant ostatní: European Research Council(XE) AdG HORIZOMS
    Výzkumný záměr: CEZ:AV0Z40550506
    Klíčová slova: collision-induced dissociation * DFT calculations * C-S bond formation * Cu(I) catalysis * infrared multiphoton spectroscopy
    Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
    Impakt faktor: 4.601, rok: 2011

    The mechanism of the copper-mediated disproportionation of aromatic imine disulfides to benzothiazoles in the gas phase is investigated by experimental and theoretical methods. Application of infrared multiphoton dissociation and hydrogen/deuterium exchange experiments combined with density functional theory (DFT) calculations of the relevant molecular structures and the associated infrared spectra allow the identification of the observed ionic intermediates. The theoretical investigation of the possible reaction pathways supported by collision-induced dissociation experiments provides a consistent mechanistic picture of the reaction catalyzed by a single copper(I) ion.
    Trvalý link: http://hdl.handle.net/11104/0006680