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On the Mechanism of the Copper-Mediated C-S Bond Formation in the Intramolecular Disproportionation of Imine Disulfides
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SYSNO ASEP 0367544 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title On the Mechanism of the Copper-Mediated C-S Bond Formation in the Intramolecular Disproportionation of Imine Disulfides Author(s) Rokob, Tibor András (UOCHB-X)
Rulíšek, Lubomír (UOCHB-X) RID, ORCID
Šrogl, Jiří (UOCHB-X)
Révész, Agnes (UOCHB-X)
Zins, Emilie-Laure (UOCHB-X)
Schröder, Detlef (UOCHB-X)Number of authors 6 Source Title Inorganic Chemistry. - : American Chemical Society - ISSN 0020-1669
Roč. 50, č. 20 (2011), s. 9968-9979Number of pages 11 s. Language eng - English Country US - United States Keywords collision-induced dissociation ; DFT calculations ; C-S bond formation ; Cu(I) catalysis ; infrared multiphoton spectroscopy Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects LC512 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) CEZ AV0Z40550506 - UOCHB-X (2005-2011) UT WOS 000295602500029 DOI 10.1021/ic200442s Annotation 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. Workplace Institute of Organic Chemistry and Biochemistry Contact asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Viktorie Chládková, Tel.: 232 002 434 Year of Publishing 2012
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