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

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F11%3A00368029" target="_blank" >RIV/61388963:_____/11:00368029 - isvavai.cz</a>

  • Result on the web

    <a href="http://dx.doi.org/10.1016/j.tetasy.2011.10.010" target="_blank" >http://dx.doi.org/10.1016/j.tetasy.2011.10.010</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1016/j.tetasy.2011.10.010" target="_blank" >10.1016/j.tetasy.2011.10.010</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

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

  • Original language description

    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.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

  • CEP classification

    CC - Organic chemistry

  • OECD FORD branch

Result continuities

  • Project

    <a href="/en/project/GA203%2F09%2F1919" target="_blank" >GA203/09/1919: Development of methods for configuration determination at chiral sulfur, nitrogen or phosphorus atom using NMR spectroscopy and ab initio calculations</a><br>

  • Continuities

    Z - Vyzkumny zamer (s odkazem do CEZ)

Others

  • Publication year

    2011

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    Tetrahedron Asymmetry

  • ISSN

    0957-4166

  • e-ISSN

  • Volume of the periodical

    22

  • Issue of the periodical within the volume

    18

  • Country of publishing house

    GB - UNITED KINGDOM

  • Number of pages

    12

  • Pages from-to

    1797-1808

  • UT code for WoS article

    000298534500016

  • EID of the result in the Scopus database