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The determination of sulfoxide configuration in five-membered rings using NMR spectroscopy and DFT calculations
- 1.0368029 - ÚOCHB 2012 RIV GB eng J - Journal Article
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
R&D Projects: GA ČR GA203/09/1919
Institutional research plan: CEZ:AV0Z40550506
Keywords : NMR spectroscopy * DFT calculations * sulfoxides
Subject RIV: CC - Organic Chemistry
Impact factor: 2.652, year: 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.
Permanent Link: http://hdl.handle.net/11104/0202502
Number of the records: 1